5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole

C53H36N4 — CID 142474037

IUPAC5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole
SMILESCN1c2ccccc2C(c2cccc3ccccc23)=NC1n1c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c2cc3ccccc3cc21
InChIInChI=1S/C53H36N4/c1-55-47-24-11-10-22-45(47)52(44-23-13-17-34-14-7-8-20-40(34)44)54-53(55)57-50-33-38(27-29-43(50)46-30-35-15-5-6-16-36(35)31-51(46)57)37-26-28-42-41-21-9-12-25-48(41)56(49(42)32-37)39-18-3-2-4-19-39/h2-33,53H,1H3
InChIKeyYKXLGGPYBNUECJ-UHFFFAOYSA-N
MW728.90 g/mol
LogP13.31
Rot. Bonds4

About 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole

5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole (PubChem CID 142474037) has the molecular formula C53H36N4 and a molecular weight of 728.90 g/mol. Its IUPAC name is 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole
PubChem CID142474037
Molecular FormulaC53H36N4
Molecular Weight728.90 g/mol
Exact Mass728.29
IUPAC Name5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole
SMILESCN1c2ccccc2C(c2cccc3ccccc23)=NC1n1c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c2cc3ccccc3cc21
InChIInChI=1S/C53H36N4/c1-55-47-24-11-10-22-45(47)52(44-23-13-17-34-14-7-8-20-40(34)44)54-53(55)57-50-33-38(27-29-43(50)46-30-35-15-5-6-16-36(35)31-51(46)57)37-26-28-42-41-21-9-12-25-48(41)56(49(42)32-37)39-18-3-2-4-19-39/h2-33,53H,1H3
InChIKeyYKXLGGPYBNUECJ-UHFFFAOYSA-N
XLogP13.31
TPSA25.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
2-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315065
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621053
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
3-[9-(2-naphthalen-1-ylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 142315055
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
2-(3-carbazol-9-ylphenyl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 144560197
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 142315018

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole (CID 142474037) is 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole is CN1c2ccccc2C(c2cccc3ccccc23)=NC1n1c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c2cc3ccccc3cc21.
What is the InChIKey of 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole?
The InChIKey is YKXLGGPYBNUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4/c1-55-47-24-11-10-22-45(47)52(44-23-13-17-34-14-7-8-20-40(34)44)54-53(55)57-50-33-38(27-29-43(50)46-30-35-15-5-6-16-36(35)31-51(46)57)37-26-28-42-41-21-9-12-25-48(41)56(49(42)32-37)39-18-3-2-4-19-39/h2-33,53H,1H3.
What are the key properties of 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole?
5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole has a molecular weight of 728.90 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole is sourced from PubChem (CID 142474037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).