2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline

C41H26N4 — CID 122497128

IUPAC2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)cc3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C41H26N4/c1-2-11-29(12-3-1)39-35-24-22-28-10-4-5-13-32(28)40(35)44-41(43-39)30-20-18-27(19-21-30)31-23-25-38(42-26-31)45-36-16-8-6-14-33(36)34-15-7-9-17-37(34)45/h1-26H
InChIKeySGYUPKAZMYDWQT-UHFFFAOYSA-N
MW574.69 g/mol
LogP10.28
Rot. Bonds4

About 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline

2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline (PubChem CID 122497128) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline
PubChem CID122497128
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)cc3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C41H26N4/c1-2-11-29(12-3-1)39-35-24-22-28-10-4-5-13-32(28)40(35)44-41(43-39)30-20-18-27(19-21-30)31-23-25-38(42-26-31)45-36-16-8-6-14-33(36)34-15-7-9-17-37(34)45/h1-26H
InChIKeySGYUPKAZMYDWQT-UHFFFAOYSA-N
XLogP10.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 510.28
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-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-phenylbenzo[h]quinazoline
CID 121401961
4-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 121401969
2-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121401965
2-(4-bromophenyl)-4-phenylbenzo[h]quinazoline;4-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159017724
16-phenyl-12-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322441
4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121401678
4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]-2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzo[h]quinazoline
CID 121401991
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160861876
6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]phenanthridine
CID 155792781

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline?
The IUPAC name of 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline (CID 122497128) is 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline.
What is the SMILES notation for 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline?
The canonical SMILES for 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline is c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)cc3)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline?
The InChIKey is SGYUPKAZMYDWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-2-11-29(12-3-1)39-35-24-22-28-10-4-5-13-32(28)40(35)44-41(43-39)30-20-18-27(19-21-30)31-23-25-38(42-26-31)45-36-16-8-6-14-33(36)34-15-7-9-17-37(34)45/h1-26H.
What are the key properties of 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline?
2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline has a molecular weight of 574.69 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 122497128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).