7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole

C43H29N5 — CID 163454570

IUPAC7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccn7)c6cc54)cc3)Nc3ccccc32)cc1
InChIInChI=1S/C43H29N5/c1-2-12-28(13-3-1)42-33-16-4-7-17-36(33)45-43(46-42)29-21-23-30(24-22-29)47-37-18-8-5-14-31(37)34-26-35-32-15-6-9-19-38(32)48(40(35)27-39(34)47)41-20-10-11-25-44-41/h1-27,43,45H
InChIKeyBJINIWZUDIGLGF-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.24
Rot. Bonds4

About 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole

7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole (PubChem CID 163454570) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
PubChem CID163454570
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccn7)c6cc54)cc3)Nc3ccccc32)cc1
InChIInChI=1S/C43H29N5/c1-2-12-28(13-3-1)42-33-16-4-7-17-36(33)45-43(46-42)29-21-23-30(24-22-29)47-37-18-8-5-14-31(37)34-26-35-32-15-6-9-19-38(32)48(40(35)27-39(34)47)41-20-10-11-25-44-41/h1-27,43,45H
InChIKeyBJINIWZUDIGLGF-UHFFFAOYSA-N
XLogP10.24
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole with MolForge

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Related Compounds

7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole
CID 163618341
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
5-[4-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139307553
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 139307181
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 144943204
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
4-[2-cyano-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-phenyl-1,2-dihydroquinazoline-5,7-dicarbonitrile
CID 163904587
5-[5-(6-naphthalen-1-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 145218371
16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322662

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole?
The IUPAC name of 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole (CID 163454570) is 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole?
The canonical SMILES for 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole is c1ccc(C2=NC(c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccn7)c6cc54)cc3)Nc3ccccc32)cc1.
What is the InChIKey of 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole?
The InChIKey is BJINIWZUDIGLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-2-12-28(13-3-1)42-33-16-4-7-17-36(33)45-43(46-42)29-21-23-30(24-22-29)47-37-18-8-5-14-31(37)34-26-35-32-15-6-9-19-38(32)48(40(35)27-39(34)47)41-20-10-11-25-44-41/h1-27,43,45H.
What are the key properties of 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole?
7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole has a molecular weight of 615.74 g/mol, XLogP of 10.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 163454570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).