2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline

C40H25N3 — CID 122497106

IUPAC2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C40H25N3/c1-2-12-28(13-3-1)38-34-22-20-27-11-6-7-15-32(27)39(34)42-40(41-38)43-36-17-9-8-16-33(36)35-25-31(21-23-37(35)43)30-19-18-26-10-4-5-14-29(26)24-30/h1-25H
InChIKeyUGRCDMDYVDUPKU-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.37
Rot. Bonds3

About 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline

2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline (PubChem CID 122497106) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
PubChem CID122497106
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C40H25N3/c1-2-12-28(13-3-1)38-34-22-20-27-11-6-7-15-32(27)39(34)42-40(41-38)43-36-17-9-8-16-33(36)35-25-31(21-23-37(35)43)30-19-18-26-10-4-5-14-29(26)24-30/h1-25H
InChIKeyUGRCDMDYVDUPKU-UHFFFAOYSA-N
XLogP10.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-9-yl]-4-phenylbenzo[h]quinazoline
CID 122497102
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 130355727
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
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline
CID 121401988
5-[9-[4-(3-phenylphenyl)benzo[h]quinazolin-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 145243189
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-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline
CID 122497126
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline?
The IUPAC name of 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline (CID 122497106) is 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline.
What is the SMILES notation for 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline?
The canonical SMILES for 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6ccccc6c5)ccc43)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline?
The InChIKey is UGRCDMDYVDUPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c1-2-12-28(13-3-1)38-34-22-20-27-11-6-7-15-32(27)39(34)42-40(41-38)43-36-17-9-8-16-33(36)35-25-31(21-23-37(35)43)30-19-18-26-10-4-5-14-29(26)24-30/h1-25H.
What are the key properties of 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline?
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline has a molecular weight of 547.66 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 122497106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).