3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole

C47H30N4 — CID 162702846

IUPAC3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cnc32)c1
InChIInChI=1S/C47H30N4/c1-7-22-41(51-45-26-11-4-19-37(45)38-20-5-12-27-46(38)51)34(16-1)31-14-13-15-32(28-31)50-44-25-10-6-21-39(44)40-29-33(30-48-47(40)50)49-42-23-8-2-17-35(42)36-18-3-9-24-43(36)49/h1-30H/i4D,5D,11D,12D,19D,20D,26D,27D
InChIKeyKXOHVEAHLJRFEA-NAGCIJGDSA-N
MW658.83 g/mol
LogP12.04
Rot. Bonds4

About 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole

3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole (PubChem CID 162702846) has the molecular formula C47H30N4 and a molecular weight of 658.83 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole
PubChem CID162702846
Molecular FormulaC47H30N4
Molecular Weight658.83 g/mol
Exact Mass658.30
IUPAC Name3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cnc32)c1
InChIInChI=1S/C47H30N4/c1-7-22-41(51-45-26-11-4-19-37(45)38-20-5-12-27-46(38)51)34(16-1)31-14-13-15-32(28-31)50-44-25-10-6-21-39(44)40-29-33(30-48-47(40)50)49-42-23-8-2-17-35(42)36-18-3-9-24-43(36)49/h1-30H/i4D,5D,11D,12D,19D,20D,26D,27D
InChIKeyKXOHVEAHLJRFEA-NAGCIJGDSA-N
XLogP12.04
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]-3-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrido[2,3-b]indole
CID 162702802
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[2-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 177115671
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517729
1,2,3,4-tetradeuterio-9-[9-[3-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517583
9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578630
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517476
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole
CID 170517752
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole
CID 170517472
4,5,6,7-tetradeuterio-14-phenyl-9-[2-(9-phenylcarbazol-3-yl)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 176824390
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 177280548
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole?
The IUPAC name of 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole (CID 162702846) is 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)cnc32)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole?
The InChIKey is KXOHVEAHLJRFEA-NAGCIJGDSA-N. The full InChI is InChI=1S/C47H30N4/c1-7-22-41(51-45-26-11-4-19-37(45)38-20-5-12-27-46(38)51)34(16-1)31-14-13-15-32(28-31)50-44-25-10-6-21-39(44)40-29-33(30-48-47(40)50)49-42-23-8-2-17-35(42)36-18-3-9-24-43(36)49/h1-30H/i4D,5D,11D,12D,19D,20D,26D,27D.
What are the key properties of 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole?
3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole has a molecular weight of 658.83 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 162702846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).