N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline

C54H38N2 — CID 166581636

IUPACN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C54H38N2/c1-3-12-39(13-4-1)42-26-32-47(33-27-42)55(48-34-28-43(29-35-48)40-14-5-2-6-15-40)49-36-30-44(31-37-49)41-22-24-45(25-23-41)46-16-11-17-50(38-46)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-38H/i26D,27D,32D,33D
InChIKeyQXGPWQPFUCGLKC-SQQCOLCUSA-N
MW718.94 g/mol
LogP14.92
Rot. Bonds8

About N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 166581636) has the molecular formula C54H38N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID166581636
Molecular FormulaC54H38N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c([2H])c([2H])c1-c1ccccc1
InChIInChI=1S/C54H38N2/c1-3-12-39(13-4-1)42-26-32-47(33-27-42)55(48-34-28-43(29-35-48)40-14-5-2-6-15-40)49-36-30-44(31-37-49)41-22-24-45(25-23-41)46-16-11-17-50(38-46)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-38H/i26D,27D,32D,33D
InChIKeyQXGPWQPFUCGLKC-SQQCOLCUSA-N
XLogP14.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 165384299
4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166581571
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
CID 166581694
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 165383888
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384298
4-[4-[4-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]aniline
CID 167211270
2,3,5,6-tetradeuterio-4-(9-naphthalen-2-ylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384002

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline (CID 166581636) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)cc2)c([2H])c([2H])c1-c1ccccc1.
What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is QXGPWQPFUCGLKC-SQQCOLCUSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-12-39(13-4-1)42-26-32-47(33-27-42)55(48-34-28-43(29-35-48)40-14-5-2-6-15-40)49-36-30-44(31-37-49)41-22-24-45(25-23-41)46-16-11-17-50(38-46)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-38H/i26D,27D,32D,33D.
What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 718.94 g/mol, XLogP of 14.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166581636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).