N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline

C30H22N2 — CID 59196853

IUPACN-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline
SMILES[3H]c1cccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C30H22N2/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)25-16-11-17-26(22-25)32-29-20-9-7-18-27(29)28-19-8-10-21-30(28)32/h1-22H/i3T
InChIKeyOQDWKLIFYUGYKL-WJULDGBESA-N
MW412.53 g/mol
LogP8.25
Rot. Bonds4

About N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline

N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline (PubChem CID 59196853) has the molecular formula C30H22N2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline
PubChem CID59196853
Molecular FormulaC30H22N2
Molecular Weight412.53 g/mol
Exact Mass412.19
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline
SMILES[3H]c1cccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C30H22N2/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)25-16-11-17-26(22-25)32-29-20-9-7-18-27(29)28-19-8-10-21-30(28)32/h1-22H/i3T
InChIKeyOQDWKLIFYUGYKL-WJULDGBESA-N
XLogP8.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
N,N-diphenyl-3-[3-(2-phenylcarbazol-9-yl)phenyl]aniline
CID 121312804
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
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline
CID 140680686
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline (CID 59196853) is N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline is [3H]c1cccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline?
The InChIKey is OQDWKLIFYUGYKL-WJULDGBESA-N. The full InChI is InChI=1S/C30H22N2/c1-3-12-23(13-4-1)31(24-14-5-2-6-15-24)25-16-11-17-26(22-25)32-29-20-9-7-18-27(29)28-19-8-10-21-30(28)32/h1-22H/i3T.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline?
N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline has a molecular weight of 412.53 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline is sourced from PubChem (CID 59196853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).