9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole

C42H28N2 — CID 171414486

IUPAC9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole
SMILES[2H]c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3cc(-c4ccccc4)ccc3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C42H28N2/c1-4-14-29(15-5-1)31-24-25-33(30-16-6-2-7-17-30)40(28-31)44-38-23-13-11-21-36(38)41-39(44)27-26-35-34-20-10-12-22-37(34)43(42(35)41)32-18-8-3-9-19-32/h1-28H/i10D
InChIKeyVAEHYKHLJSHLCQ-MMIHMFRQSA-N
MW561.71 g/mol
LogP11.21
Rot. Bonds4

About 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole

9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 171414486) has the molecular formula C42H28N2 and a molecular weight of 561.71 g/mol. Its IUPAC name is 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole
PubChem CID171414486
Molecular FormulaC42H28N2
Molecular Weight561.71 g/mol
Exact Mass561.23
IUPAC Name9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole
SMILES[2H]c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3cc(-c4ccccc4)ccc3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C42H28N2/c1-4-14-29(15-5-1)31-24-25-33(30-16-6-2-7-17-30)40(28-31)44-38-23-13-11-21-36(38)41-39(44)27-26-35-34-20-10-12-22-37(34)43(42(35)41)32-18-8-3-9-19-32/h1-28H/i10D
InChIKeyVAEHYKHLJSHLCQ-MMIHMFRQSA-N
XLogP11.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.71
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
9-(2,5-diphenylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170352987
3,5-diphenyl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-(2,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;12-phenyl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 158656844
5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834

Frequently Asked Questions

What is the IUPAC name of 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole (CID 171414486) is 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole is [2H]c1ccc2c(c1)c1ccc3c(c4ccccc4n3-c3cc(-c4ccccc4)ccc3-c3ccccc3)c1n2-c1ccccc1.
What is the InChIKey of 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is VAEHYKHLJSHLCQ-MMIHMFRQSA-N. The full InChI is InChI=1S/C42H28N2/c1-4-14-29(15-5-1)31-24-25-33(30-16-6-2-7-17-30)40(28-31)44-38-23-13-11-21-36(38)41-39(44)27-26-35-34-20-10-12-22-37(34)43(42(35)41)32-18-8-3-9-19-32/h1-28H/i10D.
What are the key properties of 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole?
9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole has a molecular weight of 561.71 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 171414486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).