4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole

C68H44N2 — CID 155334200

IUPAC4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C68H44N2/c1-5-21-45(22-6-1)47-41-42-56(59(43-47)46-23-7-2-8-24-46)66-54-33-17-31-50(52-35-19-39-64-67(52)57-29-13-15-37-62(57)69(64)48-25-9-3-10-26-48)60(54)44-61-51(32-18-34-55(61)66)53-36-20-40-65-68(53)58-30-14-16-38-63(58)70(65)49-27-11-4-12-28-49/h1-44H
InChIKeyCCEAIVFWYFWJDR-UHFFFAOYSA-N
MW889.11 g/mol
LogP18.52
Rot. Bonds7

About 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole

4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole (PubChem CID 155334200) has the molecular formula C68H44N2 and a molecular weight of 889.11 g/mol. Its IUPAC name is 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
PubChem CID155334200
Molecular FormulaC68H44N2
Molecular Weight889.11 g/mol
Exact Mass888.35
IUPAC Name4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C68H44N2/c1-5-21-45(22-6-1)47-41-42-56(59(43-47)46-23-7-2-8-24-46)66-54-33-17-31-50(52-35-19-39-64-67(52)57-29-13-15-37-62(57)69(64)48-25-9-3-10-26-48)60(54)44-61-51(32-18-34-55(61)66)53-36-20-40-65-68(53)58-30-14-16-38-63(58)70(65)49-27-11-4-12-28-49/h1-44H
InChIKeyCCEAIVFWYFWJDR-UHFFFAOYSA-N
XLogP18.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(3-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333252
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
CID 155333886
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333113
4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333749
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
CID 165386118
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
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
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
9-(2,5-diphenylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170352987

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole?
The IUPAC name of 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole (CID 155334200) is 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole?
The InChIKey is CCEAIVFWYFWJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2/c1-5-21-45(22-6-1)47-41-42-56(59(43-47)46-23-7-2-8-24-46)66-54-33-17-31-50(52-35-19-39-64-67(52)57-29-13-15-37-62(57)69(64)48-25-9-3-10-26-48)60(54)44-61-51(32-18-34-55(61)66)53-36-20-40-65-68(53)58-30-14-16-38-63(58)70(65)49-27-11-4-12-28-49/h1-44H.
What are the key properties of 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole?
4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole has a molecular weight of 889.11 g/mol, XLogP of 18.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 155334200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).