9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole

C56H34N2 — CID 171428659

IUPAC9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7cccc(c8cccc4c85)c76)cccc32)cc1
InChIInChI=1S/C56H34N2/c1-3-15-35(16-4-1)57-49-27-9-7-19-47(49)55-41(25-13-29-51(55)57)37-31-33-45-46-34-32-38(40-22-12-24-44(54(40)46)43-23-11-21-39(37)53(43)45)42-26-14-30-52-56(42)48-20-8-10-28-50(48)58(52)36-17-5-2-6-18-36/h1-34H
InChIKeyBTVUGTJYLWDHCD-UHFFFAOYSA-N
MW734.90 g/mol
LogP15.27
Rot. Bonds4

About 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole

9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole (PubChem CID 171428659) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
PubChem CID171428659
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC Name9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7cccc(c8cccc4c85)c76)cccc32)cc1
InChIInChI=1S/C56H34N2/c1-3-15-35(16-4-1)57-49-27-9-7-19-47(49)55-41(25-13-29-51(55)57)37-31-33-45-46-34-32-38(40-22-12-24-44(54(40)46)43-23-11-21-39(37)53(43)45)42-26-14-30-52-56(42)48-20-8-10-28-50(48)58(52)36-17-5-2-6-18-36/h1-34H
InChIKeyBTVUGTJYLWDHCD-UHFFFAOYSA-N
XLogP15.27
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
CID 122434619
5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol
CID 171053071
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155333620
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
CID 165386118
4-[2-(3-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719063
9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole
CID 118490729
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole?
The IUPAC name of 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole (CID 171428659) is 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c7cccc(c8cccc4c85)c76)cccc32)cc1.
What is the InChIKey of 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole?
The InChIKey is BTVUGTJYLWDHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2/c1-3-15-35(16-4-1)57-49-27-9-7-19-47(49)55-41(25-13-29-51(55)57)37-31-33-45-46-34-32-38(40-22-12-24-44(54(40)46)43-23-11-21-39(37)53(43)45)42-26-14-30-52-56(42)48-20-8-10-28-50(48)58(52)36-17-5-2-6-18-36/h1-34H.
What are the key properties of 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole?
9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole has a molecular weight of 734.90 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole is sourced from PubChem (CID 171428659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).