4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C64H42N4 — CID 129265354

IUPAC4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c(-c6cccc(-c7ccc8c(n7)c7ncccc7n8-c7ccccc7)c6)cccc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C64H42N4/c1-5-17-43(18-6-1)50-39-51(44-19-7-2-8-20-44)41-52(40-50)46-22-13-21-45(37-46)47-32-34-58-56(42-47)62-55(29-15-30-59(62)67(58)53-25-9-3-10-26-53)48-23-14-24-49(38-48)57-33-35-61-64(66-57)63-60(31-16-36-65-63)68(61)54-27-11-4-12-28-54/h1-42H
InChIKeyZBEMRCZEMAWFLC-UHFFFAOYSA-N
MW867.07 g/mol
LogP16.67
Rot. Bonds8

About 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 129265354) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID129265354
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c(-c6cccc(-c7ccc8c(n7)c7ncccc7n8-c7ccccc7)c6)cccc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C64H42N4/c1-5-17-43(18-6-1)50-39-51(44-19-7-2-8-20-44)41-52(40-50)46-22-13-21-45(37-46)47-32-34-58-56(42-47)62-55(29-15-30-59(62)67(58)53-25-9-3-10-26-53)48-23-14-24-49(38-48)57-33-35-61-64(66-57)63-60(31-16-36-65-63)68(61)54-27-11-4-12-28-54/h1-42H
InChIKeyZBEMRCZEMAWFLC-UHFFFAOYSA-N
XLogP16.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

9-phenyl-3-(3-phenylphenyl)-5-(3-pyridin-2-ylphenyl)carbazole
CID 140814567
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
5-[3-(3,5-dipyridin-2-ylphenyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 158500543
5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 159364735
3-[4-[5,9-bis(3-phenylphenyl)carbazol-3-yl]phenyl]-5,9-bis(3-phenylphenyl)carbazole;5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-phenyl-5-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158407520
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 158281604
14-[4-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122242
5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
CID 118586979
6-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 159460585
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 129265354) is 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4ccc5c(c4)c4c(-c6cccc(-c7ccc8c(n7)c7ncccc7n8-c7ccccc7)c6)cccc4n5-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ZBEMRCZEMAWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-5-17-43(18-6-1)50-39-51(44-19-7-2-8-20-44)41-52(40-50)46-22-13-21-45(37-46)47-32-34-58-56(42-47)62-55(29-15-30-59(62)67(58)53-25-9-3-10-26-53)48-23-14-24-49(38-48)57-33-35-61-64(66-57)63-60(31-16-36-65-63)68(61)54-27-11-4-12-28-54/h1-42H.
What are the key properties of 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[3-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-4-yl]phenyl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 129265354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).