N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine

C32H33FN2 — CID 162698374

IUPACN-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(F)cc4)C(C)(C)C)ccc32)cc1
InChIInChI=1S/C32H33FN2/c1-31(2,3)22-11-15-24(16-12-22)34-29-10-8-7-9-27(29)28-21-26(19-20-30(28)34)35(32(4,5)6)25-17-13-23(33)14-18-25/h7-21H,1-6H3
InChIKeyZBGLMJNGJGOIHO-UHFFFAOYSA-N
MW464.63 g/mol
LogP9.16
Rot. Bonds3

About N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine

N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine (PubChem CID 162698374) has the molecular formula C32H33FN2 and a molecular weight of 464.63 g/mol. Its IUPAC name is N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine
PubChem CID162698374
Molecular FormulaC32H33FN2
Molecular Weight464.63 g/mol
Exact Mass464.26
IUPAC NameN-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(F)cc4)C(C)(C)C)ccc32)cc1
InChIInChI=1S/C32H33FN2/c1-31(2,3)22-11-15-24(16-12-22)34-29-10-8-7-9-27(29)28-21-26(19-20-30(28)34)35(32(4,5)6)25-17-13-23(33)14-18-25/h7-21H,1-6H3
InChIKeyZBGLMJNGJGOIHO-UHFFFAOYSA-N
XLogP9.16
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-carbazol-9-yl-N-phenylaniline
CID 59518240
N-tert-butyl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 177281311
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
N-tert-butyl-N-[4-[[9-(4-tert-butylphenyl)carbazol-2-yl]methyl]phenyl]-4-methylaniline
CID 167136634
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
CID 166947089
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
CID 172632708
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
4-tert-butyl-N-[4-[12-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]-N-(4-tert-butylphenyl)aniline
CID 88541137

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine?
The IUPAC name of N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine (CID 162698374) is N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine.
What is the SMILES notation for N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine?
The canonical SMILES for N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine is CC(C)(C)c1ccc(-n2c3ccccc3c3cc(N(c4ccc(F)cc4)C(C)(C)C)ccc32)cc1.
What is the InChIKey of N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine?
The InChIKey is ZBGLMJNGJGOIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2/c1-31(2,3)22-11-15-24(16-12-22)34-29-10-8-7-9-27(29)28-21-26(19-20-30(28)34)35(32(4,5)6)25-17-13-23(33)14-18-25/h7-21H,1-6H3.
What are the key properties of N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine?
N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine has a molecular weight of 464.63 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9-(4-tert-butylphenyl)-N-(4-fluorophenyl)carbazol-3-amine is sourced from PubChem (CID 162698374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).