N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline

C36H34N2 — CID 167170524

IUPACN-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
SMILESCCC(C)(CC)c1ccc(Nc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H34N2/c1-4-36(3,5-2)28-18-22-30(23-19-28)37-29-20-15-26(16-21-29)27-17-24-35-33(25-27)32-13-9-10-14-34(32)38(35)31-11-7-6-8-12-31/h6-25,37H,4-5H2,1-3H3
InChIKeyMRHWPTKEWQFLLF-UHFFFAOYSA-N
MW494.68 g/mol
LogP10.27
Rot. Bonds7

About N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline

N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 167170524) has the molecular formula C36H34N2 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID167170524
Molecular FormulaC36H34N2
Molecular Weight494.68 g/mol
Exact Mass494.27
IUPAC NameN-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
SMILESCCC(C)(CC)c1ccc(Nc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H34N2/c1-4-36(3,5-2)28-18-22-30(23-19-28)37-29-20-15-26(16-21-29)27-17-24-35-33(25-27)32-13-9-10-14-34(32)38(35)31-11-7-6-8-12-31/h6-25,37H,4-5H2,1-3H3
InChIKeyMRHWPTKEWQFLLF-UHFFFAOYSA-N
XLogP10.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
4-(4-naphthalen-2-ylphenyl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 59288178
N-(4-naphthalen-2-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288183
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
4-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282038
4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 177116992
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
N-[4-(9-phenylcarbazol-3-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 118188114
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline (CID 167170524) is N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline is CCC(C)(CC)c1ccc(Nc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is MRHWPTKEWQFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N2/c1-4-36(3,5-2)28-18-22-30(23-19-28)37-29-20-15-26(16-21-29)27-17-24-35-33(25-27)32-13-9-10-14-34(32)38(35)31-11-7-6-8-12-31/h6-25,37H,4-5H2,1-3H3.
What are the key properties of N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline?
N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 494.68 g/mol, XLogP of 10.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpentan-3-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 167170524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).