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

C44H30N4 — CID 163618341

IUPAC7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)Nc3ccccc32)cc1
InChIInChI=1S/C44H30N4/c1-3-14-29(15-4-1)43-35-22-7-10-23-38(35)45-44(46-43)30-16-13-19-32(26-30)48-40-25-12-9-21-34(40)37-27-36-33-20-8-11-24-39(33)47(41(36)28-42(37)48)31-17-5-2-6-18-31/h1-28,44-45H
InChIKeyHLXPQGZDDFKTHI-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.84
Rot. Bonds4

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

7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole (PubChem CID 163618341) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole
PubChem CID163618341
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole
SMILESc1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)Nc3ccccc32)cc1
InChIInChI=1S/C44H30N4/c1-3-14-29(15-4-1)43-35-22-7-10-23-38(35)45-44(46-43)30-16-13-19-32(26-30)48-40-25-12-9-21-34(40)37-27-36-33-20-8-11-24-39(33)47(41(36)28-42(37)48)31-17-5-2-6-18-31/h1-28,44-45H
InChIKeyHLXPQGZDDFKTHI-UHFFFAOYSA-N
XLogP10.84
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 163454570
12-phenyl-16-[3-(4-phenyl-1,2,5,6-tetrahydroquinazolin-2-yl)phenyl]-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 134604207
7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 146337552
12-[3-(2-phenyl-1,2-dihydroquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 130180366
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
4-[2-cyano-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-phenyl-1,2-dihydroquinazoline-5,7-dicarbonitrile
CID 163904587
3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 139307181
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 144943204
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 137245379
3-phenyl-12-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]-6b,7-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 144956850

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole (CID 163618341) is 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole is c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)Nc3ccccc32)cc1.
What is the InChIKey of 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole?
The InChIKey is HLXPQGZDDFKTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-3-14-29(15-4-1)43-35-22-7-10-23-38(35)45-44(46-43)30-16-13-19-32(26-30)48-40-25-12-9-21-34(40)37-27-36-33-20-8-11-24-39(33)47(41(36)28-42(37)48)31-17-5-2-6-18-31/h1-28,44-45H.
What are the key properties of 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole?
7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole has a molecular weight of 614.75 g/mol, XLogP of 10.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 163618341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).