2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

C60H42N2 — CID 165384039

IUPAC2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILES[2H]c1c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1[2H]
InChIInChI=1S/C60H42N2/c1-4-13-43(14-5-1)45-23-27-47(28-24-45)49-31-36-54(37-32-49)61(55-38-33-50(34-39-55)48-29-25-46(26-30-48)44-15-6-2-7-16-44)56-20-12-17-51(41-56)52-35-40-60-58(42-52)57-21-10-11-22-59(57)62(60)53-18-8-3-9-19-53/h1-42H/i12D,17D,20D,41D
InChIKeyWVRNWCULTVFVCT-FYWYBXIBSA-N
MW795.03 g/mol
LogP16.59
Rot. Bonds9

About 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 165384039) has the molecular formula C60H42N2 and a molecular weight of 795.03 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
PubChem CID165384039
Molecular FormulaC60H42N2
Molecular Weight795.03 g/mol
Exact Mass794.36
IUPAC Name2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
SMILES[2H]c1c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1[2H]
InChIInChI=1S/C60H42N2/c1-4-13-43(14-5-1)45-23-27-47(28-24-45)49-31-36-54(37-32-49)61(55-38-33-50(34-39-55)48-29-25-46(26-30-48)44-15-6-2-7-16-44)56-20-12-17-51(41-56)52-35-40-60-58(42-52)57-21-10-11-22-59(57)62(60)53-18-8-3-9-19-53/h1-42H/i12D,17D,20D,41D
InChIKeyWVRNWCULTVFVCT-FYWYBXIBSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.03
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-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 165384192
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167679487
N-(4-phenylphenyl)-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-amine
CID 165383948
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 165384217
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,4-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167606755
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
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
2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 165384299
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (CID 165384039) is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is [2H]c1c([2H])c(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1[2H].
What is the InChIKey of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is WVRNWCULTVFVCT-FYWYBXIBSA-N. The full InChI is InChI=1S/C60H42N2/c1-4-13-43(14-5-1)45-23-27-47(28-24-45)49-31-36-54(37-32-49)61(55-38-33-50(34-39-55)48-29-25-46(26-30-48)44-15-6-2-7-16-44)56-20-12-17-51(41-56)52-35-40-60-58(42-52)57-21-10-11-22-59(57)62(60)53-18-8-3-9-19-53/h1-42H/i12D,17D,20D,41D.
What are the key properties of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 795.03 g/mol, XLogP of 16.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 165384039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).