9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

C36H23ClN2 — CID 176640489

IUPAC9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c3ccccc3n(-c3cc(Cl)ccc3-c3ccccc3)c2c1
InChIInChI=1S/C36H23ClN2/c37-25-18-20-27(24-10-2-1-3-11-24)35(22-25)39-34-17-9-6-14-30(34)31-21-19-26(23-36(31)39)38-32-15-7-4-12-28(32)29-13-5-8-16-33(29)38/h1-23H/i4D,5D,7D,8D,12D,13D,15D,16D
InChIKeyMHBDDANEKYSCCK-YHBJRZOZSA-N
MW527.10 g/mol
LogP10.20
Rot. Bonds3

About 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (PubChem CID 176640489) has the molecular formula C36H23ClN2 and a molecular weight of 527.10 g/mol. Its IUPAC name is 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

Molecular Properties

Compound Name9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
PubChem CID176640489
Molecular FormulaC36H23ClN2
Molecular Weight527.10 g/mol
Exact Mass526.21
IUPAC Name9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c3ccccc3n(-c3cc(Cl)ccc3-c3ccccc3)c2c1
InChIInChI=1S/C36H23ClN2/c37-25-18-20-27(24-10-2-1-3-11-24)35(22-25)39-34-17-9-6-14-30(34)31-21-19-26(23-36(31)39)38-32-15-7-4-12-28(32)29-13-5-8-16-33(29)38/h1-23H/i4D,5D,7D,8D,12D,13D,15D,16D
InChIKeyMHBDDANEKYSCCK-YHBJRZOZSA-N
XLogP10.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.10
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole
CID 170100671
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 176640480
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517578
9-[5-chloro-2-(3-phenylphenyl)phenyl]carbazole
CID 139303654
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517406
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
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176640465
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517762
1,2,3,4-tetradeuterio-9-[9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517700
1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole
CID 170517994
1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole
CID 177275579
[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane
CID 162500251

Frequently Asked Questions

What is the IUPAC name of 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The IUPAC name of 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (CID 176640489) is 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.
What is the SMILES notation for 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The canonical SMILES for 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c3ccccc3n(-c3cc(Cl)ccc3-c3ccccc3)c2c1.
What is the InChIKey of 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The InChIKey is MHBDDANEKYSCCK-YHBJRZOZSA-N. The full InChI is InChI=1S/C36H23ClN2/c37-25-18-20-27(24-10-2-1-3-11-24)35(22-25)39-34-17-9-6-14-30(34)31-21-19-26(23-36(31)39)38-32-15-7-4-12-28(32)29-13-5-8-16-33(29)38/h1-23H/i4D,5D,7D,8D,12D,13D,15D,16D.
What are the key properties of 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole has a molecular weight of 527.10 g/mol, XLogP of 10.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is sourced from PubChem (CID 176640489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).