5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole

C41H26N6 — CID 118150808

IUPAC5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ncc3c(n2)nc(-n2c4ccccc4c4c2ccc2c5ccccc5n(-c5ccccc5)c24)n3-c2ccccc2)cc1
InChIInChI=1S/C41H26N6/c1-4-14-27(15-5-1)39-42-26-36-40(43-39)44-41(46(36)29-18-8-3-9-19-29)47-34-23-13-11-21-32(34)37-35(47)25-24-31-30-20-10-12-22-33(30)45(38(31)37)28-16-6-2-7-17-28/h1-26H
InChIKeyJIURXDFPZGYELC-UHFFFAOYSA-N
MW602.70 g/mol
LogP9.68
Rot. Bonds4

About 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole

5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 118150808) has the molecular formula C41H26N6 and a molecular weight of 602.70 g/mol. Its IUPAC name is 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole
PubChem CID118150808
Molecular FormulaC41H26N6
Molecular Weight602.70 g/mol
Exact Mass602.22
IUPAC Name5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ncc3c(n2)nc(-n2c4ccccc4c4c2ccc2c5ccccc5n(-c5ccccc5)c24)n3-c2ccccc2)cc1
InChIInChI=1S/C41H26N6/c1-4-14-27(15-5-1)39-42-26-36-40(43-39)44-41(46(36)29-18-8-3-9-19-29)47-34-23-13-11-21-32(34)37-35(47)25-24-31-30-20-10-12-22-33(30)45(38(31)37)28-16-6-2-7-17-28/h1-26H
InChIKeyJIURXDFPZGYELC-UHFFFAOYSA-N
XLogP9.68
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole
CID 170407048
12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole
CID 118501967
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
5-phenyl-12-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[3,2-c]carbazole
CID 139484020
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole (CID 118150808) is 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2ncc3c(n2)nc(-n2c4ccccc4c4c2ccc2c5ccccc5n(-c5ccccc5)c24)n3-c2ccccc2)cc1.
What is the InChIKey of 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is JIURXDFPZGYELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N6/c1-4-14-27(15-5-1)39-42-26-36-40(43-39)44-41(46(36)29-18-8-3-9-19-29)47-34-23-13-11-21-32(34)37-35(47)25-24-31-30-20-10-12-22-33(30)45(38(31)37)28-16-6-2-7-17-28/h1-26H.
What are the key properties of 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole?
5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole has a molecular weight of 602.70 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 118150808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).