5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C56H35N3 — CID 139362121

IUPAC5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6c5)nc(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C56H35N3/c1-2-12-36(13-3-1)38-22-24-39(25-23-38)43-28-29-51-50(33-43)55(45-27-26-37-14-4-5-15-40(37)30-45)58-56(57-51)46-31-44-18-8-9-19-47(44)53(35-46)59-52-21-11-10-20-48(52)49-32-41-16-6-7-17-42(41)34-54(49)59/h1-35H
InChIKeyUMPXPVYIWUUYJF-UHFFFAOYSA-N
MW749.92 g/mol
LogP14.85
Rot. Bonds5

About 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole

5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 139362121) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID139362121
Molecular FormulaC56H35N3
Molecular Weight749.92 g/mol
Exact Mass749.28
IUPAC Name5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6c5)nc(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C56H35N3/c1-2-12-36(13-3-1)38-22-24-39(25-23-38)43-28-29-51-50(33-43)55(45-27-26-37-14-4-5-15-40(37)30-45)58-56(57-51)46-31-44-18-8-9-19-47(44)53(35-46)59-52-21-11-10-20-48(52)49-32-41-16-6-7-17-42(41)34-54(49)59/h1-35H
InChIKeyUMPXPVYIWUUYJF-UHFFFAOYSA-N
XLogP14.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.92
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 139361762
5-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 146539853
5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[b]carbazole
CID 167032034
9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032255
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603571
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915426
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
5-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[4-(4-naphthalen-2-yl-6,7-diphenylquinazolin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[4-(4,6,7-triphenylquinazolin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 158714392
5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 139362120
9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915433
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 138654354
2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146540820

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole (CID 139362121) is 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3ccc4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6c5)nc(-c5ccc6ccccc6c5)c4c3)cc2)cc1.
What is the InChIKey of 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is UMPXPVYIWUUYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-2-12-36(13-3-1)38-22-24-39(25-23-38)43-28-29-51-50(33-43)55(45-27-26-37-14-4-5-15-40(37)30-45)58-56(57-51)46-31-44-18-8-9-19-47(44)53(35-46)59-52-21-11-10-20-48(52)49-32-41-16-6-7-17-42(41)34-54(49)59/h1-35H.
What are the key properties of 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 749.92 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 139362121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).