9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole

C50H33N — CID 130377342

IUPAC9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole
SMILESc1ccc(-c2ccc3c(-c4ccc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C50H33N/c1-4-15-34(16-5-1)38-29-32-44-46(33-38)49(36-19-8-3-9-20-36)43-23-11-10-22-42(43)48(44)37-27-30-39(31-28-37)51-47-26-13-12-21-41(47)45-25-14-24-40(50(45)51)35-17-6-2-7-18-35/h1-33H
InChIKeyBMVWAEJLFPMNIP-UHFFFAOYSA-N
MW647.82 g/mol
LogP13.76
Rot. Bonds5

About 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole

9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole (PubChem CID 130377342) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole.

Molecular Properties

Compound Name9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole
PubChem CID130377342
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC Name9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole
SMILESc1ccc(-c2ccc3c(-c4ccc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C50H33N/c1-4-15-34(16-5-1)38-29-32-44-46(33-38)49(36-19-8-3-9-20-36)43-23-11-10-22-42(43)48(44)37-27-30-39(31-28-37)51-47-26-13-12-21-41(47)45-25-14-24-40(50(45)51)35-17-6-2-7-18-35/h1-33H
InChIKeyBMVWAEJLFPMNIP-UHFFFAOYSA-N
XLogP13.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 513.76
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

9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
5-(9,10-diphenylanthracen-2-yl)-11-phenylbenzo[a]carbazole;5-[4-(3,10-diphenylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 158978981
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
9-phenyl-1-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]carbazole
CID 146920901
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole?
The IUPAC name of 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole (CID 130377342) is 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole.
What is the SMILES notation for 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole?
The canonical SMILES for 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole is c1ccc(-c2ccc3c(-c4ccc(-n5c6ccccc6c6cccc(-c7ccccc7)c65)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole?
The InChIKey is BMVWAEJLFPMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-4-15-34(16-5-1)38-29-32-44-46(33-38)49(36-19-8-3-9-20-36)43-23-11-10-22-42(43)48(44)37-27-30-39(31-28-37)51-47-26-13-12-21-41(47)45-25-14-24-40(50(45)51)35-17-6-2-7-18-35/h1-33H.
What are the key properties of 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole?
9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole has a molecular weight of 647.82 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole is sourced from PubChem (CID 130377342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).