3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole

C42H27N — CID 121309011

IUPAC3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6cc6c5ccc5ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C42H27N/c1-2-12-33(13-3-1)43-40-17-9-8-16-36(40)39-26-31(23-25-41(39)43)28-18-20-30(21-19-28)42-35-15-7-5-11-32(35)27-38-34-14-6-4-10-29(34)22-24-37(38)42/h1-27H
InChIKeySBNARRJZCBFIFC-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.58
Rot. Bonds3

About 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole

3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole (PubChem CID 121309011) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
PubChem CID121309011
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6cc6c5ccc5ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C42H27N/c1-2-12-33(13-3-1)43-40-17-9-8-16-36(40)39-26-31(23-25-41(39)43)28-18-20-30(21-19-28)42-35-15-7-5-11-32(35)27-38-34-14-6-4-10-29(34)22-24-37(38)42/h1-27H
InChIKeySBNARRJZCBFIFC-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-phenyl-3-[4-(10-phenylanthracen-1-yl)phenyl]carbazole
CID 141374936
3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159711358
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
3-(4-benzo[b]triphenylen-9-ylphenyl)-9-phenylcarbazole
CID 126633217
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole
CID 170671261
15-[4-(9-phenylcarbazol-3-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene
CID 164740446
7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[c]carbazole;7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158285865
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yl-9-phenylcarbazol-3-amine
CID 169064223

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole?
The IUPAC name of 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole (CID 121309011) is 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6cc6c5ccc5ccccc56)cc4)ccc32)cc1.
What is the InChIKey of 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole?
The InChIKey is SBNARRJZCBFIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-12-33(13-3-1)43-40-17-9-8-16-36(40)39-26-31(23-25-41(39)43)28-18-20-30(21-19-28)42-35-15-7-5-11-32(35)27-38-34-14-6-4-10-29(34)22-24-37(38)42/h1-27H.
What are the key properties of 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole?
3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole has a molecular weight of 545.69 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 121309011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).