9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C82H63N3O2 — CID 137487958

IUPAC9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESc1ccc(N(c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4cccc5c4oc4c(C6CCCCC6)cc6ccccc6c45)cc2n3-c2ccccc2)c2cccc3c2oc2c(C4CCCCC4)cc4ccccc4c23)cc1
InChIInChI=1S/C82H63N3O2/c1-6-26-52(27-7-1)67-48-54-30-16-18-38-59(54)75-65-44-24-46-69(79(65)86-81(67)75)83(56-32-10-3-11-33-56)71-50-73-77(63-42-22-20-40-61(63)71)78-64-43-23-21-41-62(64)72(51-74(78)85(73)58-36-14-5-15-37-58)84(57-34-12-4-13-35-57)70-47-25-45-66-76-60-39-19-17-31-55(60)49-68(82(76)87-80(66)70)53-28-8-2-9-29-53/h3-5,10-25,30-53H,1-2,6-9,26-29H2
InChIKeyLUKAGZLPSDFLLZ-UHFFFAOYSA-N
MW1122.43 g/mol
LogP24.23
Rot. Bonds9

About 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 137487958) has the molecular formula C82H63N3O2 and a molecular weight of 1122.43 g/mol. Its IUPAC name is 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID137487958
Molecular FormulaC82H63N3O2
Molecular Weight1122.43 g/mol
Exact Mass1121.49
IUPAC Name9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESc1ccc(N(c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4cccc5c4oc4c(C6CCCCC6)cc6ccccc6c45)cc2n3-c2ccccc2)c2cccc3c2oc2c(C4CCCCC4)cc4ccccc4c23)cc1
InChIInChI=1S/C82H63N3O2/c1-6-26-52(27-7-1)67-48-54-30-16-18-38-59(54)75-65-44-24-46-69(79(65)86-81(67)75)83(56-32-10-3-11-33-56)71-50-73-77(63-42-22-20-40-61(63)71)78-64-43-23-21-41-62(64)72(51-74(78)85(73)58-36-14-5-15-37-58)84(57-34-12-4-13-35-57)70-47-25-45-66-76-60-39-19-17-31-55(60)49-68(82(76)87-80(66)70)53-28-8-2-9-29-53/h3-5,10-25,30-53H,1-2,6-9,26-29H2
InChIKeyLUKAGZLPSDFLLZ-UHFFFAOYSA-N
XLogP24.23
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.43
LogP ≤ 524.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine with MolForge

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Related Compounds

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
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 90263193
9-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-9-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 90263048
9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487388
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170299509
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-2-amine
CID 170299554
6-N-(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 146579315
9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263304
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 170299552
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 161499760
9-N,15-N-bis(2-methylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487432
5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N-(3-phenylphenyl)-9-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 90262741

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 137487958) is 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is c1ccc(N(c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4cccc5c4oc4c(C6CCCCC6)cc6ccccc6c45)cc2n3-c2ccccc2)c2cccc3c2oc2c(C4CCCCC4)cc4ccccc4c23)cc1.
What is the InChIKey of 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is LUKAGZLPSDFLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H63N3O2/c1-6-26-52(27-7-1)67-48-54-30-16-18-38-59(54)75-65-44-24-46-69(79(65)86-81(67)75)83(56-32-10-3-11-33-56)71-50-73-77(63-42-22-20-40-61(63)71)78-64-43-23-21-41-62(64)72(51-74(78)85(73)58-36-14-5-15-37-58)84(57-34-12-4-13-35-57)70-47-25-45-66-76-60-39-19-17-31-55(60)49-68(82(76)87-80(66)70)53-28-8-2-9-29-53/h3-5,10-25,30-53H,1-2,6-9,26-29H2.
What are the key properties of 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 1122.43 g/mol, XLogP of 24.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,15-N-bis(6-cyclohexylnaphtho[2,1-b][1]benzofuran-8-yl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 137487958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).