3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole

C36H24N2 — CID 170517752

IUPAC3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole
SMILES[2H]c1cc([2H])c(-c2ccccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5ccccc5c5ccccc54)c([2H])c([2H])c32)c([2H])c1
InChIInChI=1S/C36H24N2/c1-2-12-25(13-3-1)27-14-4-8-18-32(27)38-35-21-11-7-17-30(35)31-24-26(22-23-36(31)38)37-33-19-9-5-15-28(33)29-16-6-10-20-34(29)37/h1-24H/i1D,7D,11D,12D,13D,17D,21D,22D,23D,24D
InChIKeyCFMPKZIYTWCUHR-DEFJCULQSA-N
MW494.66 g/mol
LogP9.55
Rot. Bonds3

About 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole

3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole (PubChem CID 170517752) has the molecular formula C36H24N2 and a molecular weight of 494.66 g/mol. Its IUPAC name is 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole
PubChem CID170517752
Molecular FormulaC36H24N2
Molecular Weight494.66 g/mol
Exact Mass494.26
IUPAC Name3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole
SMILES[2H]c1cc([2H])c(-c2ccccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5ccccc5c5ccccc54)c([2H])c([2H])c32)c([2H])c1
InChIInChI=1S/C36H24N2/c1-2-12-25(13-3-1)27-14-4-8-18-32(27)38-35-21-11-7-17-30(35)31-24-26(22-23-36(31)38)37-33-19-9-5-15-28(33)29-16-6-10-20-34(29)37/h1-24H/i1D,7D,11D,12D,13D,17D,21D,22D,23D,24D
InChIKeyCFMPKZIYTWCUHR-DEFJCULQSA-N
XLogP9.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[1,3,4,5,6,7,8-heptadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazol-2-yl]carbazole
CID 170659950
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578517
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-deuterio-5-(2,4,6-trideuteriophenyl)phenyl]carbazole
CID 170517422
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
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578351
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517466
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
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 172512108
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578357
9-[2-[4-carbazol-9-yl-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578328
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[3-[2,4,6-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 170517671

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole (CID 170517752) is 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole is [2H]c1cc([2H])c(-c2ccccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c(-n4c5ccccc5c5ccccc54)c([2H])c([2H])c32)c([2H])c1.
What is the InChIKey of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole?
The InChIKey is CFMPKZIYTWCUHR-DEFJCULQSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-12-25(13-3-1)27-14-4-8-18-32(27)38-35-21-11-7-17-30(35)31-24-26(22-23-36(31)38)37-33-19-9-5-15-28(33)29-16-6-10-20-34(29)37/h1-24H/i1D,7D,11D,12D,13D,17D,21D,22D,23D,24D.
What are the key properties of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole?
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole has a molecular weight of 494.66 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[2-(2,4,6-trideuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 170517752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).