4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline

C48H30N4 — CID 121402040

IUPAC4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C48H30N4/c1-3-14-32(15-4-1)46-41-28-23-31-13-7-8-18-36(31)47(41)50-48(49-46)52-43-22-12-10-20-38(43)40-27-25-34(30-45(40)52)33-24-26-39-37-19-9-11-21-42(37)51(44(39)29-33)35-16-5-2-6-17-35/h1-30H
InChIKeyAVICVJMOHLKOFZ-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline

4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline (PubChem CID 121402040) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
PubChem CID121402040
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C48H30N4/c1-3-14-32(15-4-1)46-41-28-23-31-13-7-8-18-36(31)47(41)50-48(49-46)52-43-22-12-10-20-38(43)40-27-25-34(30-45(40)52)33-24-26-39-37-19-9-11-21-42(37)51(44(39)29-33)35-16-5-2-6-17-35/h1-30H
InChIKeyAVICVJMOHLKOFZ-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 130355727
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121465327
2-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121402019
7-phenyl-10-[9-(4-phenylbenzo[h]quinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 155153254
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121402159
4-phenyl-2,8-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline
CID 134189759
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
2-[3-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-9-yl]-4-phenylbenzo[h]quinazoline
CID 122497102
2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
2-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121401965
9-phenyl-6-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[c]carbazol-10-yl]carbazole-3-thiol
CID 131998699

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline?
The IUPAC name of 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline (CID 121402040) is 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline.
What is the SMILES notation for 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline?
The canonical SMILES for 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline is c1ccc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline?
The InChIKey is AVICVJMOHLKOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-14-32(15-4-1)46-41-28-23-31-13-7-8-18-36(31)47(41)50-48(49-46)52-43-22-12-10-20-38(43)40-27-25-34(30-45(40)52)33-24-26-39-37-19-9-11-21-42(37)51(44(39)29-33)35-16-5-2-6-17-35/h1-30H.
What are the key properties of 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline?
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline is sourced from PubChem (CID 121402040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).