6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene

C90H60N2 — CID 58131782

IUPAC6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5c(-c6ccccc6)c6cc7c(cc6c(-c6ccccc6)c5cc43)c(-c3ccccc3)c(-c3ccccc3)n7-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C90H60N2/c1-11-31-61(32-12-1)71-51-72(62-33-13-2-14-34-62)54-75(53-71)91-83-59-79-77(57-81(83)87(67-43-23-7-24-44-67)89(91)69-47-27-9-28-48-69)86(66-41-21-6-22-42-66)80-60-84-82(58-78(80)85(79)65-39-19-5-20-40-65)88(68-45-25-8-26-46-68)90(70-49-29-10-30-50-70)92(84)76-55-73(63-35-15-3-16-36-63)52-74(56-76)64-37-17-4-18-38-64/h1-60H
InChIKeyYRRAYGBZQHVPDV-UHFFFAOYSA-N
MW1169.48 g/mol
LogP24.55
Rot. Bonds12

About 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene

6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene (PubChem CID 58131782) has the molecular formula C90H60N2 and a molecular weight of 1169.48 g/mol. Its IUPAC name is 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene.

Molecular Properties

Compound Name6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
PubChem CID58131782
Molecular FormulaC90H60N2
Molecular Weight1169.48 g/mol
Exact Mass1168.48
IUPAC Name6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5c(-c6ccccc6)c6cc7c(cc6c(-c6ccccc6)c5cc43)c(-c3ccccc3)c(-c3ccccc3)n7-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C90H60N2/c1-11-31-61(32-12-1)71-51-72(62-33-13-2-14-34-62)54-75(53-71)91-83-59-79-77(57-81(83)87(67-43-23-7-24-44-67)89(91)69-47-27-9-28-48-69)86(66-41-21-6-22-42-66)80-60-84-82(58-78(80)85(79)65-39-19-5-20-40-65)88(68-45-25-8-26-46-68)90(70-49-29-10-30-50-70)92(84)76-55-73(63-35-15-3-16-36-63)52-74(56-76)64-37-17-4-18-38-64/h1-60H
InChIKeyYRRAYGBZQHVPDV-UHFFFAOYSA-N
XLogP24.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.48
LogP ≤ 524.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene with MolForge

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

Launch Full Analysis

Related Compounds

2,6,7,8,12,16,17,18-octakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131848
1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
CID 126620765
1,2,3-triphenylbenzo[f]indole
CID 102138150
5,6-dimethyl-1,2,3-triphenylindole
CID 102138148
2,12-bis(9,9-dimethylfluoren-2-yl)-6,7,8,16,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131870
11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 71142575
9-(3,5-diphenylphenyl)carbazole
CID 86068368
15-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-14-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90336953
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole
CID 58161278
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225

Frequently Asked Questions

What is the IUPAC name of 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene?
The IUPAC name of 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene (CID 58131782) is 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene.
What is the SMILES notation for 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene?
The canonical SMILES for 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4cc5c(-c6ccccc6)c6cc7c(cc6c(-c6ccccc6)c5cc43)c(-c3ccccc3)c(-c3ccccc3)n7-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene?
The InChIKey is YRRAYGBZQHVPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N2/c1-11-31-61(32-12-1)71-51-72(62-33-13-2-14-34-62)54-75(53-71)91-83-59-79-77(57-81(83)87(67-43-23-7-24-44-67)89(91)69-47-27-9-28-48-69)86(66-41-21-6-22-42-66)80-60-84-82(58-78(80)85(79)65-39-19-5-20-40-65)88(68-45-25-8-26-46-68)90(70-49-29-10-30-50-70)92(84)76-55-73(63-35-15-3-16-36-63)52-74(56-76)64-37-17-4-18-38-64/h1-60H.
What are the key properties of 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene?
6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene has a molecular weight of 1169.48 g/mol, XLogP of 24.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene is sourced from PubChem (CID 58131782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).