5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole

C31H20N4 — CID 163513367

IUPAC5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ncccc54)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C31H20N4/c1-2-9-21(10-3-1)22-16-18-23(19-17-22)30-33-26-13-6-4-11-24(26)31(34-30)35-27-14-7-5-12-25(27)29-28(35)15-8-20-32-29/h1-20H
InChIKeyDEPQNYLTRLSNRN-UHFFFAOYSA-N
MW448.53 g/mol
LogP7.46
Rot. Bonds3

About 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole

5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole (PubChem CID 163513367) has the molecular formula C31H20N4 and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole
PubChem CID163513367
Molecular FormulaC31H20N4
Molecular Weight448.53 g/mol
Exact Mass448.17
IUPAC Name5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ncccc54)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C31H20N4/c1-2-9-21(10-3-1)22-16-18-23(19-17-22)30-33-26-13-6-4-11-24(26)31(34-30)35-27-14-7-5-12-25(27)29-28(35)15-8-20-32-29/h1-20H
InChIKeyDEPQNYLTRLSNRN-UHFFFAOYSA-N
XLogP7.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420
5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 176634623
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 163640640
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
4-phenyl-17-pyrido[3,2-b]indol-5-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484228
4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
CID 130258354
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
8-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
CID 118586796
4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 154514157

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole (CID 163513367) is 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ncccc54)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole?
The InChIKey is DEPQNYLTRLSNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N4/c1-2-9-21(10-3-1)22-16-18-23(19-17-22)30-33-26-13-6-4-11-24(26)31(34-30)35-27-14-7-5-12-25(27)29-28(35)15-8-20-32-29/h1-20H.
What are the key properties of 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole?
5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole has a molecular weight of 448.53 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-phenylphenyl)quinazolin-4-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 163513367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).