5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole

C38H23N3 — CID 166889749

IUPAC5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3ccccc23)c2ccc3ccccc3c2n1
InChIInChI=1S/C38H23N3/c1-2-13-27-23-35-33(22-26(27)12-1)30-17-7-8-19-34(30)41(35)38-39-36-29-16-6-4-11-25(29)20-21-32(36)37(40-38)31-18-9-14-24-10-3-5-15-28(24)31/h1-23H
InChIKeySWYDYBRVVFVUNA-UHFFFAOYSA-N
MW521.62 g/mol
LogP9.85
Rot. Bonds2

About 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole

5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole (PubChem CID 166889749) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
PubChem CID166889749
Molecular FormulaC38H23N3
Molecular Weight521.62 g/mol
Exact Mass521.19
IUPAC Name5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3ccccc23)c2ccc3ccccc3c2n1
InChIInChI=1S/C38H23N3/c1-2-13-27-23-35-33(22-26(27)12-1)30-17-7-8-19-34(30)41(35)38-39-36-29-16-6-4-11-25(29)20-21-32(36)37(40-38)31-18-9-14-24-10-3-5-15-28(24)31/h1-23H
InChIKeySWYDYBRVVFVUNA-UHFFFAOYSA-N
XLogP9.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 59.85
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

22-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 126621708
2-[3-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-9-yl]-4-phenylbenzo[h]quinazoline
CID 122497102
5-(4-pyridin-3-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 146185344
5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361842
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
2-(3-naphthalen-2-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 122497106
2-(3-carbazol-9-ylcarbazol-9-yl)-4-[6-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-2-yl]benzo[h]quinazoline
CID 121401988
2-[3-carbazol-9-yl-6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]-4-naphthalen-1-ylbenzo[h]quinazoline
CID 121404390
2-benzo[c]carbazol-7-yl-5-(4-phenylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 146375723
5-(4,7-dinaphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(4-naphthalen-1-yl-7-naphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 161085780
4-phenyl-2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline
CID 121402040
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole (CID 166889749) is 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc3ccccc23)c2ccc3ccccc3c2n1.
What is the InChIKey of 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole?
The InChIKey is SWYDYBRVVFVUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3/c1-2-13-27-23-35-33(22-26(27)12-1)30-17-7-8-19-34(30)41(35)38-39-36-29-16-6-4-11-25(29)20-21-32(36)37(40-38)31-18-9-14-24-10-3-5-15-28(24)31/h1-23H.
What are the key properties of 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole?
5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole has a molecular weight of 521.62 g/mol, XLogP of 9.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 166889749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).