2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole

C70H43N — CID 137458851

IUPAC2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole
SMILESc1ccc(-c2cc3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc(-c7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7)cc5n6-c5ccccc5)ccc4c3c3ccccc23)cc1
InChIInChI=1S/C70H43N/c1-3-15-45(16-4-1)63-43-67-56-24-12-11-23-55(56)64-39-48(33-37-61(64)70(67)60-26-14-13-25-57(60)63)49-34-38-68-66(40-49)59-36-32-50(41-69(59)71(68)51-18-5-2-6-19-51)44-27-29-47(30-28-44)62-42-65-52-20-8-7-17-46(52)31-35-58(65)53-21-9-10-22-54(53)62/h1-43H
InChIKeyZYUKPOFDTHVQFU-UHFFFAOYSA-N
MW898.12 g/mol
LogP19.52
Rot. Bonds5

About 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole

2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole (PubChem CID 137458851) has the molecular formula C70H43N and a molecular weight of 898.12 g/mol. Its IUPAC name is 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole.

Molecular Properties

Compound Name2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole
PubChem CID137458851
Molecular FormulaC70H43N
Molecular Weight898.12 g/mol
Exact Mass897.34
IUPAC Name2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole
SMILESc1ccc(-c2cc3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc(-c7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7)cc5n6-c5ccccc5)ccc4c3c3ccccc23)cc1
InChIInChI=1S/C70H43N/c1-3-15-45(16-4-1)63-43-67-56-24-12-11-23-55(56)64-39-48(33-37-61(64)70(67)60-26-14-13-25-57(60)63)49-34-38-68-66(40-49)59-36-32-50(41-69(59)71(68)51-18-5-2-6-19-51)44-27-29-47(30-28-44)62-42-65-52-20-8-7-17-46(52)31-35-58(65)53-21-9-10-22-54(53)62/h1-43H
InChIKeyZYUKPOFDTHVQFU-UHFFFAOYSA-N
XLogP19.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.12
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)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

2-(9-phenylcarbazol-3-yl)-6-[21-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-9-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-9-(4-triphenylen-2-ylphenyl)carbazole
CID 163802798
3-[9-(3-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4-benzo[c]phenanthren-5-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158289960
2-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole
CID 121287520
2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole
CID 121287357
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492360
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492358
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585

Frequently Asked Questions

What is the IUPAC name of 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole?
The IUPAC name of 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole (CID 137458851) is 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole.
What is the SMILES notation for 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole?
The canonical SMILES for 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole is c1ccc(-c2cc3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc(-c7ccc(-c8cc9c%10ccccc%10ccc9c9ccccc89)cc7)cc5n6-c5ccccc5)ccc4c3c3ccccc23)cc1.
What is the InChIKey of 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole?
The InChIKey is ZYUKPOFDTHVQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N/c1-3-15-45(16-4-1)63-43-67-56-24-12-11-23-55(56)64-39-48(33-37-61(64)70(67)60-26-14-13-25-57(60)63)49-34-38-68-66(40-49)59-36-32-50(41-69(59)71(68)51-18-5-2-6-19-51)44-27-29-47(30-28-44)62-42-65-52-20-8-7-17-46(52)31-35-58(65)53-21-9-10-22-54(53)62/h1-43H.
What are the key properties of 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole?
2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole has a molecular weight of 898.12 g/mol, XLogP of 19.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole is sourced from PubChem (CID 137458851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).