1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole

C57H40N2 — CID 167201247

IUPAC1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cc(C4CCc5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5-c5ccccc54)c4[nH]c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C57H40N2/c1-3-16-37(17-4-1)39-19-13-20-40(34-39)41-35-50(57-51(36-41)45-24-9-11-29-52(45)58-57)44-33-32-38-18-14-27-47(55(38)46-25-8-7-23-43(44)46)48-28-15-31-54-56(48)49-26-10-12-30-53(49)59(54)42-21-5-2-6-22-42/h1-31,34-36,44,58H,32-33H2
InChIKeyRSBDJSFVEGCULC-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.16
Rot. Bonds5

About 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole

1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole (PubChem CID 167201247) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole.

Molecular Properties

Compound Name1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole
PubChem CID167201247
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole
SMILESc1ccc(-c2cccc(-c3cc(C4CCc5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5-c5ccccc54)c4[nH]c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C57H40N2/c1-3-16-37(17-4-1)39-19-13-20-40(34-39)41-35-50(57-51(36-41)45-24-9-11-29-52(45)58-57)44-33-32-38-18-14-27-47(55(38)46-25-8-7-23-43(44)46)48-28-15-31-54-56(48)49-26-10-12-30-53(49)59(54)42-21-5-2-6-22-42/h1-31,34-36,44,58H,32-33H2
InChIKeyRSBDJSFVEGCULC-UHFFFAOYSA-N
XLogP15.16
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole 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

1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole
CID 118490729
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole
CID 170348414
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
4-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 126592656
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718

Frequently Asked Questions

What is the IUPAC name of 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole?
The IUPAC name of 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole (CID 167201247) is 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole.
What is the SMILES notation for 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole?
The canonical SMILES for 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole is c1ccc(-c2cccc(-c3cc(C4CCc5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5-c5ccccc54)c4[nH]c5ccccc5c4c3)c2)cc1.
What is the InChIKey of 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole?
The InChIKey is RSBDJSFVEGCULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-3-16-37(17-4-1)39-19-13-20-40(34-39)41-35-50(57-51(36-41)45-24-9-11-29-52(45)58-57)44-33-32-38-18-14-27-47(55(38)46-25-8-7-23-43(44)46)48-28-15-31-54-56(48)49-26-10-12-30-53(49)59(54)42-21-5-2-6-22-42/h1-31,34-36,44,58H,32-33H2.
What are the key properties of 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole?
1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole has a molecular weight of 752.96 g/mol, XLogP of 15.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[15-(9-phenylcarbazol-4-yl)-8-tricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaenyl]-3-(3-phenylphenyl)-9H-carbazole is sourced from PubChem (CID 167201247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).