11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole

C60H38N4 — CID 145158985

IUPAC11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)nc3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc23)cc1
InChIInChI=1S/C60H38N4/c1-4-16-41(17-5-1)58-52-37-43(44-32-34-49-50-35-31-39-15-10-11-22-48(39)59(50)64(56(49)38-44)46-20-8-3-9-21-46)33-36-53(52)61-60(62-58)42-29-27-40(28-30-42)47-24-14-26-55-57(47)51-23-12-13-25-54(51)63(55)45-18-6-2-7-19-45/h1-38H
InChIKeyUCWPTAJXTWKZOB-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.65
Rot. Bonds6

About 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole

11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole (PubChem CID 145158985) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
PubChem CID145158985
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)nc3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc23)cc1
InChIInChI=1S/C60H38N4/c1-4-16-41(17-5-1)58-52-37-43(44-32-34-49-50-35-31-39-15-10-11-22-48(39)59(50)64(56(49)38-44)46-20-8-3-9-21-46)33-36-53(52)61-60(62-58)42-29-27-40(28-30-42)47-24-14-26-55-57(47)51-23-12-13-25-54(51)63(55)45-18-6-2-7-19-45/h1-38H
InChIKeyUCWPTAJXTWKZOB-UHFFFAOYSA-N
XLogP15.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965
9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole
CID 154952578
9-phenyl-2-[4-phenyl-2-(4-pyren-1-ylphenyl)quinazolin-6-yl]carbazole
CID 145158981
11-phenyl-8-(2,4,9-triphenylpyrimido[4,5-b]indol-6-yl)benzo[a]carbazole;7-phenyl-10-(2,4,9-triphenylpyrimido[4,5-b]indol-6-yl)benzo[c]carbazole;2,4,9-triphenyl-6-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole
CID 158505849
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
11-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[a]carbazole
CID 144568635
7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole
CID 166849308
2-phenyl-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;9-(4-phenylquinazolin-2-yl)-3-triphenylen-2-ylcarbazole;9-phenyl-4-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]carbazole
CID 158204619
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
2-[10-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]quinazoline-4-carbonitrile;2-[3-phenyl-6-(11-phenylbenzo[a]carbazol-8-yl)carbazol-9-yl]quinazoline-4-carbonitrile
CID 162048204

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole?
The IUPAC name of 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole (CID 145158985) is 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole.
What is the SMILES notation for 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole?
The canonical SMILES for 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)nc3ccc(-c4ccc5c6ccc7ccccc7c6n(-c6ccccc6)c5c4)cc23)cc1.
What is the InChIKey of 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole?
The InChIKey is UCWPTAJXTWKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-4-16-41(17-5-1)58-52-37-43(44-32-34-49-50-35-31-39-15-10-11-22-48(39)59(50)64(56(49)38-44)46-20-8-3-9-21-46)33-36-53(52)61-60(62-58)42-29-27-40(28-30-42)47-24-14-26-55-57(47)51-23-12-13-25-54(51)63(55)45-18-6-2-7-19-45/h1-38H.
What are the key properties of 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole?
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole has a molecular weight of 814.99 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole is sourced from PubChem (CID 145158985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).