2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole

C48H31N3 — CID 171414552

IUPAC2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C48H31N3/c1-4-14-34(15-5-1)49-42-22-12-11-21-38(42)40-30-32(24-27-44(40)49)33-25-28-45-41(31-33)47-46(50(45)35-16-6-2-7-17-35)29-26-39-37-20-10-13-23-43(37)51(48(39)47)36-18-8-3-9-19-36/h1-31H/i1D,4D,5D,14D,15D
InChIKeyVLJKYGLYGCMTLH-KMIUACPRSA-N
MW654.83 g/mol
LogP12.64
Rot. Bonds4

About 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole

2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole (PubChem CID 171414552) has the molecular formula C48H31N3 and a molecular weight of 654.83 g/mol. Its IUPAC name is 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole
PubChem CID171414552
Molecular FormulaC48H31N3
Molecular Weight654.83 g/mol
Exact Mass654.28
IUPAC Name2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4ccccc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C48H31N3/c1-4-14-34(15-5-1)49-42-22-12-11-21-38(42)40-30-32(24-27-44(40)49)33-25-28-45-41(31-33)47-46(50(45)35-16-6-2-7-17-35)29-26-39-37-20-10-13-23-43(37)51(48(39)47)36-18-8-3-9-19-36/h1-31H/i1D,4D,5D,14D,15D
InChIKeyVLJKYGLYGCMTLH-KMIUACPRSA-N
XLogP12.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.83
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole
CID 159391615
9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 171414486
12-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 158507542
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 162424757
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole?
The IUPAC name of 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole (CID 171414552) is 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole.
What is the SMILES notation for 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole?
The canonical SMILES for 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4ccccc4)ccc32)c([2H])c1[2H].
What is the InChIKey of 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole?
The InChIKey is VLJKYGLYGCMTLH-KMIUACPRSA-N. The full InChI is InChI=1S/C48H31N3/c1-4-14-34(15-5-1)49-42-22-12-11-21-38(42)40-30-32(24-27-44(40)49)33-25-28-45-41(31-33)47-46(50(45)35-16-6-2-7-17-35)29-26-39-37-20-10-13-23-43(37)51(48(39)47)36-18-8-3-9-19-36/h1-31H/i1D,4D,5D,14D,15D.
What are the key properties of 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole?
2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole has a molecular weight of 654.83 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole is sourced from PubChem (CID 171414552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).