2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole

C45H29NO — CID 146578203

IUPAC2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5c6ccccc6Oc6c5c5ccccc5c5ccccc65)cc4)cc32)cc1
InChIInChI=1S/C45H29NO/c1-2-12-32(13-3-1)46-40-20-10-8-16-35(40)36-27-26-31(28-41(36)46)29-22-24-30(25-23-29)43-39-19-9-11-21-42(39)47-45-38-18-7-5-15-34(38)33-14-4-6-17-37(33)44(43)45/h1-28,43H
InChIKeyYKUOOUHEPZONEQ-UHFFFAOYSA-N
MW599.73 g/mol
LogP12.04
Rot. Bonds3

About 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole

2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole (PubChem CID 146578203) has the molecular formula C45H29NO and a molecular weight of 599.73 g/mol. Its IUPAC name is 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole
PubChem CID146578203
Molecular FormulaC45H29NO
Molecular Weight599.73 g/mol
Exact Mass599.22
IUPAC Name2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5c6ccccc6Oc6c5c5ccccc5c5ccccc65)cc4)cc32)cc1
InChIInChI=1S/C45H29NO/c1-2-12-32(13-3-1)46-40-20-10-8-16-35(40)36-27-26-31(28-41(36)46)29-22-24-30(25-23-29)43-39-19-9-11-21-42(39)47-45-38-18-7-5-15-34(38)33-14-4-6-17-37(33)44(43)45/h1-28,43H
InChIKeyYKUOOUHEPZONEQ-UHFFFAOYSA-N
XLogP12.04
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.73
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(12H-benzo[a]xanthen-12-yl)phenyl]-9-phenylcarbazole;12-[4-(9,9-diphenylfluoren-2-yl)phenyl]-12H-benzo[a]xanthene;12-[4-(4-phenylphenyl)phenyl]-12H-benzo[a]xanthene
CID 162006774
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
2-[4-(12H-benzo[a]thioxanthen-12-yl)phenyl]-9-phenylcarbazole
CID 146578996
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
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444

Frequently Asked Questions

What is the IUPAC name of 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole (CID 146578203) is 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5c6ccccc6Oc6c5c5ccccc5c5ccccc65)cc4)cc32)cc1.
What is the InChIKey of 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole?
The InChIKey is YKUOOUHEPZONEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO/c1-2-12-32(13-3-1)46-40-20-10-8-16-35(40)36-27-26-31(28-41(36)46)29-22-24-30(25-23-29)43-39-19-9-11-21-42(39)47-45-38-18-7-5-15-34(38)33-14-4-6-17-37(33)44(43)45/h1-28,43H.
What are the key properties of 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole?
2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole has a molecular weight of 599.73 g/mol, XLogP of 12.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(14H-phenanthro[9,10-b]chromen-14-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146578203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).