N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine

C46H54N2 — CID 130398280

IUPACN,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
SMILESCCCCCCc1cc(N(c2ccc(C)c(CCCCCC)c2)c2ccc3c(c2)c2cc(C)ccc2n3-c2ccc(C)cc2)ccc1C
InChIInChI=1S/C46H54N2/c1-7-9-11-13-15-37-30-40(24-20-35(37)5)47(41-25-21-36(6)38(31-41)16-14-12-10-8-2)42-26-28-46-44(32-42)43-29-34(4)19-27-45(43)48(46)39-22-17-33(3)18-23-39/h17-32H,7-16H2,1-6H3
InChIKeyYPAQJLLTJXCZCU-UHFFFAOYSA-N
MW634.95 g/mol
LogP13.73
Rot. Bonds14

About N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine

N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine (PubChem CID 130398280) has the molecular formula C46H54N2 and a molecular weight of 634.95 g/mol. Its IUPAC name is N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
PubChem CID130398280
Molecular FormulaC46H54N2
Molecular Weight634.95 g/mol
Exact Mass634.43
IUPAC NameN,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
SMILESCCCCCCc1cc(N(c2ccc(C)c(CCCCCC)c2)c2ccc3c(c2)c2cc(C)ccc2n3-c2ccc(C)cc2)ccc1C
InChIInChI=1S/C46H54N2/c1-7-9-11-13-15-37-30-40(24-20-35(37)5)47(41-25-21-36(6)38(31-41)16-14-12-10-8-2)42-26-28-46-44(32-42)43-29-34(4)19-27-45(43)48(46)39-22-17-33(3)18-23-39/h17-32H,7-16H2,1-6H3
InChIKeyYPAQJLLTJXCZCU-UHFFFAOYSA-N
XLogP13.73
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.95
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine
CID 135167848
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
N,N-bis(4-bromo-3-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
CID 130402671
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole
CID 129133621
3,6-dimethyl-9-(4-octoxyphenyl)carbazole
CID 21042265
6-butyl-N,N-bis(3-hexyl-4-methylphenyl)naphthalen-2-amine
CID 130398276
9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline
CID 159131794
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
CID 59683855
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine?
The IUPAC name of N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine (CID 130398280) is N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine.
What is the SMILES notation for N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine?
The canonical SMILES for N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine is CCCCCCc1cc(N(c2ccc(C)c(CCCCCC)c2)c2ccc3c(c2)c2cc(C)ccc2n3-c2ccc(C)cc2)ccc1C.
What is the InChIKey of N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine?
The InChIKey is YPAQJLLTJXCZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N2/c1-7-9-11-13-15-37-30-40(24-20-35(37)5)47(41-25-21-36(6)38(31-41)16-14-12-10-8-2)42-26-28-46-44(32-42)43-29-34(4)19-27-45(43)48(46)39-22-17-33(3)18-23-39/h17-32H,7-16H2,1-6H3.
What are the key properties of N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine?
N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine has a molecular weight of 634.95 g/mol, XLogP of 13.73, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine is sourced from PubChem (CID 130398280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).