9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole

C48H31N — CID 134391811

IUPAC9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C48H31N/c1-3-14-33(15-4-1)46-39-18-7-9-20-41(39)47(42-21-10-8-19-40(42)46)35-29-27-32-26-28-34(30-36(32)31-35)38-23-13-25-45-48(38)43-22-11-12-24-44(43)49(45)37-16-5-2-6-17-37/h1-31H
InChIKeyYUBYYOZMEVMRFW-UHFFFAOYSA-N
MW621.78 g/mol
LogP13.24
Rot. Bonds4

About 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole

9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole (PubChem CID 134391811) has the molecular formula C48H31N and a molecular weight of 621.78 g/mol. Its IUPAC name is 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole
PubChem CID134391811
Molecular FormulaC48H31N
Molecular Weight621.78 g/mol
Exact Mass621.25
IUPAC Name9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4c3)c3ccccc23)cc1
InChIInChI=1S/C48H31N/c1-3-14-33(15-4-1)46-39-18-7-9-20-41(39)47(42-21-10-8-19-40(42)46)35-29-27-32-26-28-34(30-36(32)31-35)38-23-13-25-45-48(38)43-22-11-12-24-44(43)49(45)37-16-5-2-6-17-37/h1-31H
InChIKeyYUBYYOZMEVMRFW-UHFFFAOYSA-N
XLogP13.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
CID 90126083
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 169063501
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333639
4-[8-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenyldibenzofuran
CID 167601105
9-phenyl-4-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159906088
N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065150

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole?
The IUPAC name of 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole (CID 134391811) is 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4c3)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole?
The InChIKey is YUBYYOZMEVMRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N/c1-3-14-33(15-4-1)46-39-18-7-9-20-41(39)47(42-21-10-8-19-40(42)46)35-29-27-32-26-28-34(30-36(32)31-35)38-23-13-25-45-48(38)43-22-11-12-24-44(43)49(45)37-16-5-2-6-17-37/h1-31H.
What are the key properties of 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole?
9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole has a molecular weight of 621.78 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole is sourced from PubChem (CID 134391811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).