5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole

C47H28N4 — CID 160718737

IUPAC5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole
SMILES[C-]#[N+]c1c(-c2nc(-c3ccccc3)c3ccc(-c4ccccc4)cc3n2)cc(-n2c3ccccc3c3cc4ccccc4cc32)c2ccccc12
InChIInChI=1S/C47H28N4/c1-48-46-37-22-11-10-20-35(37)44(51-42-23-13-12-21-36(42)39-26-32-18-8-9-19-33(32)28-43(39)51)29-40(46)47-49-41-27-34(30-14-4-2-5-15-30)24-25-38(41)45(50-47)31-16-6-3-7-17-31/h2-29H
InChIKeyWZOFTKKBTUTQIZ-UHFFFAOYSA-N
MW648.77 g/mol
LogP12.59
Rot. Bonds4

About 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole

5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole (PubChem CID 160718737) has the molecular formula C47H28N4 and a molecular weight of 648.77 g/mol. Its IUPAC name is 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole
PubChem CID160718737
Molecular FormulaC47H28N4
Molecular Weight648.77 g/mol
Exact Mass648.23
IUPAC Name5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole
SMILES[C-]#[N+]c1c(-c2nc(-c3ccccc3)c3ccc(-c4ccccc4)cc3n2)cc(-n2c3ccccc3c3cc4ccccc4cc32)c2ccccc12
InChIInChI=1S/C47H28N4/c1-48-46-37-22-11-10-20-35(37)44(51-42-23-13-12-21-36(42)39-26-32-18-8-9-19-33(32)28-43(39)51)29-40(46)47-49-41-27-34(30-14-4-2-5-15-30)24-25-38(41)45(50-47)31-16-6-3-7-17-31/h2-29H
InChIKeyWZOFTKKBTUTQIZ-UHFFFAOYSA-N
XLogP12.59
TPSA35.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(7-naphthalen-2-yl-4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 139362120
5-[3-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 139361762
2-naphthalen-2-yl-5-[4-[7-phenyl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146540820
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
12-[4-(4,7-diphenylquinazolin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[6-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[4-[7-naphthalen-2-yl-4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 161046932
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylquinazolin-2-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylquinazolin-2-yl)phenyl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylquinazolin-2-yl)phenyl]-2-phenylcarbazole
CID 163852582
5-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 139362121
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
5-[6-(4-phenylquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 164707859
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 157483368

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole (CID 160718737) is 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole is [C-]#[N+]c1c(-c2nc(-c3ccccc3)c3ccc(-c4ccccc4)cc3n2)cc(-n2c3ccccc3c3cc4ccccc4cc32)c2ccccc12.
What is the InChIKey of 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole?
The InChIKey is WZOFTKKBTUTQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4/c1-48-46-37-22-11-10-20-35(37)44(51-42-23-13-12-21-36(42)39-26-32-18-8-9-19-33(32)28-43(39)51)29-40(46)47-49-41-27-34(30-14-4-2-5-15-30)24-25-38(41)45(50-47)31-16-6-3-7-17-31/h2-29H.
What are the key properties of 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole?
5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole has a molecular weight of 648.77 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,7-diphenylquinazolin-2-yl)-4-isocyanonaphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 160718737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).