1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine

C250H156N6O6 — CID 160771142

IUPAC1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5c(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc7c6oc6c(-c8ccccc8)cc8ccccc8c67)ccc6ccc3c4c65)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21.c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccc5ccccc5c4)c4ccc5ccc6c(N(c7ccc8ccccc8c7)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1.c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4cccc5ccccc45)c4ccc5ccc6c(N(c7cccc8ccccc78)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1
InChIInChI=1S/C90H60N2O2.2C80H48N2O2/c1-89(2)73-33-17-15-29-63(73)65-45-41-59(51-75(65)89)91(79-35-19-31-69-83-61-27-13-11-25-57(61)49-71(87(83)93-85(69)79)53-21-7-5-8-22-53)77-47-39-55-38-44-68-78(48-40-56-37-43-67(77)81(55)82(56)68)92(60-42-46-66-64-30-16-18-34-74(64)90(3,4)76(66)52-60)80-36-20-32-70-84-62-28-14-12-26-58(62)50-72(88(84)94-86(70)80)54-23-9-6-10-24-54;1-3-19-51(20-4-1)65-47-55-25-9-13-31-59(55)75-63-33-17-37-71(77(63)83-79(65)75)81(67-35-15-27-49-23-7-11-29-57(49)67)69-45-41-53-40-44-62-70(46-42-54-39-43-61(69)73(53)74(54)62)82(68-36-16-28-50-24-8-12-30-58(50)68)72-38-18-34-64-76-60-32-14-10-26-56(60)48-66(80(76)84-78(64)72)52-21-5-2-6-22-52;1-3-19-51(20-4-1)67-47-57-25-11-13-27-61(57)75-65-29-15-31-71(77(65)83-79(67)75)81(59-39-33-49-17-7-9-23-55(49)45-59)69-43-37-53-36-42-64-70(44-38-54-35-41-63(69)73(53)74(54)64)82(60-40-34-50-18-8-10-24-56(50)46-60)72-32-16-30-66-76-62-28-14-12-26-58(62)48-68(80(76)84-78(66)72)52-21-5-2-6-22-52/h5-52H,1-4H3;2*1-48H
InChIKeyRZIHRRIPLFPGFH-UHFFFAOYSA-N
MW3340.03 g/mol
LogP72.11
Rot. Bonds24

About 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine

1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine (PubChem CID 160771142) has the molecular formula C250H156N6O6 and a molecular weight of 3340.03 g/mol. Its IUPAC name is 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine
PubChem CID160771142
Molecular FormulaC250H156N6O6
Molecular Weight3340.03 g/mol
Exact Mass3337.21
IUPAC Name1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5c(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc7c6oc6c(-c8ccccc8)cc8ccccc8c67)ccc6ccc3c4c65)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21.c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccc5ccccc5c4)c4ccc5ccc6c(N(c7ccc8ccccc8c7)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1.c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4cccc5ccccc45)c4ccc5ccc6c(N(c7cccc8ccccc78)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1
InChIInChI=1S/C90H60N2O2.2C80H48N2O2/c1-89(2)73-33-17-15-29-63(73)65-45-41-59(51-75(65)89)91(79-35-19-31-69-83-61-27-13-11-25-57(61)49-71(87(83)93-85(69)79)53-21-7-5-8-22-53)77-47-39-55-38-44-68-78(48-40-56-37-43-67(77)81(55)82(56)68)92(60-42-46-66-64-30-16-18-34-74(64)90(3,4)76(66)52-60)80-36-20-32-70-84-62-28-14-12-26-58(62)50-72(88(84)94-86(70)80)54-23-9-6-10-24-54;1-3-19-51(20-4-1)65-47-55-25-9-13-31-59(55)75-63-33-17-37-71(77(63)83-79(65)75)81(67-35-15-27-49-23-7-11-29-57(49)67)69-45-41-53-40-44-62-70(46-42-54-39-43-61(69)73(53)74(54)62)82(68-36-16-28-50-24-8-12-30-58(50)68)72-38-18-34-64-76-60-32-14-10-26-56(60)48-66(80(76)84-78(64)72)52-21-5-2-6-22-52;1-3-19-51(20-4-1)67-47-57-25-11-13-27-61(57)75-65-29-15-31-71(77(65)83-79(67)75)81(59-39-33-49-17-7-9-23-55(49)45-59)69-43-37-53-36-42-64-70(44-38-54-35-41-63(69)73(53)74(54)64)82(60-40-34-50-18-8-10-24-56(50)46-60)72-32-16-30-66-76-62-28-14-12-26-58(62)48-68(80(76)84-78(66)72)52-21-5-2-6-22-52/h5-52H,1-4H3;2*1-48H
InChIKeyRZIHRRIPLFPGFH-UHFFFAOYSA-N
XLogP72.11
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003340.03
LogP ≤ 572.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 166028581
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
CID 159006380
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730540
12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 126550533
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221488
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
CID 90139814
9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221626
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine (CID 160771142) is 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5c(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc7c6oc6c(-c8ccccc8)cc8ccccc8c67)ccc6ccc3c4c65)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc21.c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4ccc5ccccc5c4)c4ccc5ccc6c(N(c7ccc8ccccc8c7)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1.c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4cccc5ccccc45)c4ccc5ccc6c(N(c7cccc8ccccc78)c7cccc8c7oc7c(-c9ccccc9)cc9ccccc9c78)ccc7ccc4c5c76)cccc23)cc1.
What is the InChIKey of 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine?
The InChIKey is RZIHRRIPLFPGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N2O2.2C80H48N2O2/c1-89(2)73-33-17-15-29-63(73)65-45-41-59(51-75(65)89)91(79-35-19-31-69-83-61-27-13-11-25-57(61)49-71(87(83)93-85(69)79)53-21-7-5-8-22-53)77-47-39-55-38-44-68-78(48-40-56-37-43-67(77)81(55)82(56)68)92(60-42-46-66-64-30-16-18-34-74(64)90(3,4)76(66)52-60)80-36-20-32-70-84-62-28-14-12-26-58(62)50-72(88(84)94-86(70)80)54-23-9-6-10-24-54;1-3-19-51(20-4-1)65-47-55-25-9-13-31-59(55)75-63-33-17-37-71(77(63)83-79(65)75)81(67-35-15-27-49-23-7-11-29-57(49)67)69-45-41-53-40-44-62-70(46-42-54-39-43-61(69)73(53)74(54)62)82(68-36-16-28-50-24-8-12-30-58(50)68)72-38-18-34-64-76-60-32-14-10-26-56(60)48-66(80(76)84-78(64)72)52-21-5-2-6-22-52;1-3-19-51(20-4-1)67-47-57-25-11-13-27-61(57)75-65-29-15-31-71(77(65)83-79(67)75)81(59-39-33-49-17-7-9-23-55(49)45-59)69-43-37-53-36-42-64-70(44-38-54-35-41-63(69)73(53)74(54)64)82(60-40-34-50-18-8-10-24-56(50)46-60)72-32-16-30-66-76-62-28-14-12-26-58(62)48-68(80(76)84-78(66)72)52-21-5-2-6-22-52/h5-52H,1-4H3;2*1-48H.
What are the key properties of 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine?
1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine has a molecular weight of 3340.03 g/mol, XLogP of 72.11, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-1-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine;1-N,6-N-dinaphthalen-2-yl-1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pyrene-1,6-diamine is sourced from PubChem (CID 160771142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).