N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine

C32H34N2O2 — CID 142290194

IUPACN,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine
SMILESCCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C32H34N2O2/c1-3-5-21-35-27-16-11-24(12-17-27)34(25-13-18-28(19-14-25)36-22-6-4-2)26-15-20-32-30(23-26)29-9-7-8-10-31(29)33-32/h7-20,23,33H,3-6,21-22H2,1-2H3
InChIKeyQCUWKHXDQHTLGD-UHFFFAOYSA-N
MW478.64 g/mol
LogP9.15
Rot. Bonds11

About N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine

N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine (PubChem CID 142290194) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound NameN,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine
PubChem CID142290194
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC NameN,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine
SMILESCCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc3[nH]c4ccccc4c3c2)cc1
InChIInChI=1S/C32H34N2O2/c1-3-5-21-35-27-16-11-24(12-17-27)34(25-13-18-28(19-14-25)36-22-6-4-2)26-15-20-32-30(23-26)29-9-7-8-10-31(29)33-32/h7-20,23,33H,3-6,21-22H2,1-2H3
InChIKeyQCUWKHXDQHTLGD-UHFFFAOYSA-N
XLogP9.15
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-octoxy-10H-acridin-9-one
CID 611041
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
CID 58925352
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
N-(4-bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline
CID 53438256

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine?
The IUPAC name of N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine (CID 142290194) is N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine.
What is the SMILES notation for N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine?
The canonical SMILES for N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine is CCCCOc1ccc(N(c2ccc(OCCCC)cc2)c2ccc3[nH]c4ccccc4c3c2)cc1.
What is the InChIKey of N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine?
The InChIKey is QCUWKHXDQHTLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c1-3-5-21-35-27-16-11-24(12-17-27)34(25-13-18-28(19-14-25)36-22-6-4-2)26-15-20-32-30(23-26)29-9-7-8-10-31(29)33-32/h7-20,23,33H,3-6,21-22H2,1-2H3.
What are the key properties of N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine?
N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine has a molecular weight of 478.64 g/mol, XLogP of 9.15, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 142290194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).