1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine

C256H212N8O8 — CID 162104018

IUPAC1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
SMILESCC(C)(c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1)c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.Cc1ccccc1N(c1ccc2ccc3c(N(c4ccc(C(C)(C)c5ccc(N(c6ccc7ccc8c(N(c9ccccc9C)c9cccc%10c9oc9c(C(C)(C)C)cccc9%10)ccc9ccc6c7c98)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5)cc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C131H108N4O4.C125H104N4O4/c1-131(2,89-65-69-93(70-66-89)134(117-55-27-51-105-101-47-23-43-97(125(101)138-129(105)117)83-33-13-5-14-34-83)113-79-63-87-57-73-107-111(77-61-85-59-75-109(113)121(87)119(85)107)132(91-37-17-7-18-38-91)115-53-25-49-103-99-45-21-41-95(123(99)136-127(103)115)81-29-9-3-10-30-81)90-67-71-94(72-68-90)135(118-56-28-52-106-102-48-24-44-98(126(102)139-130(106)118)84-35-15-6-16-36-84)114-80-64-88-58-74-108-112(78-62-86-60-76-110(114)122(88)120(86)108)133(92-39-19-8-20-40-92)116-54-26-50-104-100-46-22-42-96(124(100)137-128(104)116)82-31-11-4-12-32-82;1-73-29-17-19-43-99(73)128(107-47-27-37-89-85-33-23-41-97(123(9,10)11)115(85)132-119(89)107)103-71-55-77-49-65-91-101(69-53-75-51-67-93(103)111(77)109(75)91)126(105-45-25-35-87-83-31-21-39-95(121(3,4)5)113(83)130-117(87)105)81-61-57-79(58-62-81)125(15,16)80-59-63-82(64-60-80)127(106-46-26-36-88-84-32-22-40-96(122(6,7)8)114(84)131-118(88)106)102-70-54-76-52-68-94-104(72-56-78-50-66-92(102)110(76)112(78)94)129(100-44-20-18-30-74(100)2)108-48-28-38-90-86-34-24-42-98(124(12,13)14)116(86)133-120(90)108/h7-8,17-28,37-84H,3-6,9-16,29-36H2,1-2H3;17-72H,1-16H3
InChIKeyZFGNDCJHCXMVIR-UHFFFAOYSA-N
MW3528.56 g/mol
LogP76.57
Rot. Bonds32

About 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine (PubChem CID 162104018) has the molecular formula C256H212N8O8 and a molecular weight of 3528.56 g/mol. Its IUPAC name is 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
PubChem CID162104018
Molecular FormulaC256H212N8O8
Molecular Weight3528.56 g/mol
Exact Mass3525.64
IUPAC Name1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
SMILESCC(C)(c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1)c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.Cc1ccccc1N(c1ccc2ccc3c(N(c4ccc(C(C)(C)c5ccc(N(c6ccc7ccc8c(N(c9ccccc9C)c9cccc%10c9oc9c(C(C)(C)C)cccc9%10)ccc9ccc6c7c98)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5)cc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C131H108N4O4.C125H104N4O4/c1-131(2,89-65-69-93(70-66-89)134(117-55-27-51-105-101-47-23-43-97(125(101)138-129(105)117)83-33-13-5-14-34-83)113-79-63-87-57-73-107-111(77-61-85-59-75-109(113)121(87)119(85)107)132(91-37-17-7-18-38-91)115-53-25-49-103-99-45-21-41-95(123(99)136-127(103)115)81-29-9-3-10-30-81)90-67-71-94(72-68-90)135(118-56-28-52-106-102-48-24-44-98(126(102)139-130(106)118)84-35-15-6-16-36-84)114-80-64-88-58-74-108-112(78-62-86-60-76-110(114)122(88)120(86)108)133(92-39-19-8-20-40-92)116-54-26-50-104-100-46-22-42-96(124(100)137-128(104)116)82-31-11-4-12-32-82;1-73-29-17-19-43-99(73)128(107-47-27-37-89-85-33-23-41-97(123(9,10)11)115(85)132-119(89)107)103-71-55-77-49-65-91-101(69-53-75-51-67-93(103)111(77)109(75)91)126(105-45-25-35-87-83-31-21-39-95(121(3,4)5)113(83)130-117(87)105)81-61-57-79(58-62-81)125(15,16)80-59-63-82(64-60-80)127(106-46-26-36-88-84-32-22-40-96(122(6,7)8)114(84)131-118(88)106)102-70-54-76-52-68-94-104(72-56-78-50-66-92(102)110(76)112(78)94)129(100-44-20-18-30-74(100)2)108-48-28-38-90-86-34-24-42-98(124(12,13)14)116(86)133-120(90)108/h7-8,17-28,37-84H,3-6,9-16,29-36H2,1-2H3;17-72H,1-16H3
InChIKeyZFGNDCJHCXMVIR-UHFFFAOYSA-N
XLogP76.57
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003528.56
LogP ≤ 576.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-3,8-dicyclohexyl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 158281555
1-N,6-N-bis(6-tert-butyl-3-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(3-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 158236047
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
1-N-(4-tert-butylphenyl)-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N-[4-(1-methylcyclobutyl)phenyl]pyrene-1,6-diamine
CID 126699108
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(3-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 158198718
1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-7-[4-(N-[7-tert-butyl-3-(N-phenylanilino)pyren-1-yl]anilino)phenyl]-1-N,3-N-bis(2-methylphenyl)pyrene-1,3-diamine
CID 148755949
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 160963441
7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 122578935
6-N,18-N-bis(6-cyclopentyldibenzofuran-4-yl)-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-6-N,18-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 157323255
1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)pyrene-1,6-diamine;1-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 159264056
6-tert-butyl-N-(2-cyclohexylphenyl)-N-methyldibenzofuran-4-amine
CID 134527983
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 159568171

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine (CID 162104018) is 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine is CC(C)(c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1)c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5c(C7CCCCC7)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.Cc1ccccc1N(c1ccc2ccc3c(N(c4ccc(C(C)(C)c5ccc(N(c6ccc7ccc8c(N(c9ccccc9C)c9cccc%10c9oc9c(C(C)(C)C)cccc9%10)ccc9ccc6c7c98)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5)cc4)c4cccc5c4oc4c(C(C)(C)C)cccc45)ccc4ccc1c2c43)c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine?
The InChIKey is ZFGNDCJHCXMVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H108N4O4.C125H104N4O4/c1-131(2,89-65-69-93(70-66-89)134(117-55-27-51-105-101-47-23-43-97(125(101)138-129(105)117)83-33-13-5-14-34-83)113-79-63-87-57-73-107-111(77-61-85-59-75-109(113)121(87)119(85)107)132(91-37-17-7-18-38-91)115-53-25-49-103-99-45-21-41-95(123(99)136-127(103)115)81-29-9-3-10-30-81)90-67-71-94(72-68-90)135(118-56-28-52-106-102-48-24-44-98(126(102)139-130(106)118)84-35-15-6-16-36-84)114-80-64-88-58-74-108-112(78-62-86-60-76-110(114)122(88)120(86)108)133(92-39-19-8-20-40-92)116-54-26-50-104-100-46-22-42-96(124(100)137-128(104)116)82-31-11-4-12-32-82;1-73-29-17-19-43-99(73)128(107-47-27-37-89-85-33-23-41-97(123(9,10)11)115(85)132-119(89)107)103-71-55-77-49-65-91-101(69-53-75-51-67-93(103)111(77)109(75)91)126(105-45-25-35-87-83-31-21-39-95(121(3,4)5)113(83)130-117(87)105)81-61-57-79(58-62-81)125(15,16)80-59-63-82(64-60-80)127(106-46-26-36-88-84-32-22-40-96(122(6,7)8)114(84)131-118(88)106)102-70-54-76-52-68-94-104(72-56-78-50-66-92(102)110(76)112(78)94)129(100-44-20-18-30-74(100)2)108-48-28-38-90-86-34-24-42-98(124(12,13)14)116(86)133-120(90)108/h7-8,17-28,37-84H,3-6,9-16,29-36H2,1-2H3;17-72H,1-16H3.
What are the key properties of 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine?
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine has a molecular weight of 3528.56 g/mol, XLogP of 76.57, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-6-N-[4-[2-[4-[(6-tert-butyldibenzofuran-4-yl)-[6-(N-(6-tert-butyldibenzofuran-4-yl)-2-methylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-1-N-(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-[2-[4-[(6-cyclohexyldibenzofuran-4-yl)-[6-(N-(6-cyclohexyldibenzofuran-4-yl)anilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine is sourced from PubChem (CID 162104018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).