N-tert-butyl-4-carbazol-9-yl-N-phenylaniline

C28H26N2 — CID 59518240

IUPACN-tert-butyl-4-carbazol-9-yl-N-phenylaniline
SMILESCC(C)(C)N(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C28H26N2/c1-28(2,3)30(22-11-5-4-6-12-22)23-19-17-21(18-20-23)29-26-15-9-7-13-24(26)25-14-8-10-16-27(25)29/h4-20H,1-3H3
InChIKeyTYUIAFQKMUDFTP-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.72
Rot. Bonds3

About N-tert-butyl-4-carbazol-9-yl-N-phenylaniline

N-tert-butyl-4-carbazol-9-yl-N-phenylaniline (PubChem CID 59518240) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-tert-butyl-4-carbazol-9-yl-N-phenylaniline.

Molecular Properties

Compound NameN-tert-butyl-4-carbazol-9-yl-N-phenylaniline
PubChem CID59518240
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC NameN-tert-butyl-4-carbazol-9-yl-N-phenylaniline
SMILESCC(C)(C)N(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C28H26N2/c1-28(2,3)30(22-11-5-4-6-12-22)23-19-17-21(18-20-23)29-26-15-9-7-13-24(26)25-14-8-10-16-27(25)29/h4-20H,1-3H3
InChIKeyTYUIAFQKMUDFTP-UHFFFAOYSA-N
XLogP7.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 177281311
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine
CID 162698374
1-(4-carbazol-9-ylphenyl)-1-phenylhydrazine
CID 146434356
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-tert-butyl-N-[4-[[9-(4-tert-butylphenyl)carbazol-2-yl]methyl]phenyl]-4-methylaniline
CID 167136634
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-carbazol-9-yl-N-phenylaniline?
The IUPAC name of N-tert-butyl-4-carbazol-9-yl-N-phenylaniline (CID 59518240) is N-tert-butyl-4-carbazol-9-yl-N-phenylaniline.
What is the SMILES notation for N-tert-butyl-4-carbazol-9-yl-N-phenylaniline?
The canonical SMILES for N-tert-butyl-4-carbazol-9-yl-N-phenylaniline is CC(C)(C)N(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-tert-butyl-4-carbazol-9-yl-N-phenylaniline?
The InChIKey is TYUIAFQKMUDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-28(2,3)30(22-11-5-4-6-12-22)23-19-17-21(18-20-23)29-26-15-9-7-13-24(26)25-14-8-10-16-27(25)29/h4-20H,1-3H3.
What are the key properties of N-tert-butyl-4-carbazol-9-yl-N-phenylaniline?
N-tert-butyl-4-carbazol-9-yl-N-phenylaniline has a molecular weight of 390.53 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-carbazol-9-yl-N-phenylaniline is sourced from PubChem (CID 59518240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).