9H-carbazole;bis(N,N-diphenylaniline)

C48H39N3 — CID 174838898

IUPAC9H-carbazole;bis(N,N-diphenylaniline)
SMILESc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/2C18H15N.C12H9N/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2*1-15H;1-8,13H
InChIKeyDFMBIRTZMKEAAE-UHFFFAOYSA-N
MW657.86 g/mol
LogP13.63
Rot. Bonds6

About 9H-carbazole;bis(N,N-diphenylaniline)

9H-carbazole;bis(N,N-diphenylaniline) (PubChem CID 174838898) has the molecular formula C48H39N3 and a molecular weight of 657.86 g/mol. Its IUPAC name is 9H-carbazole;bis(N,N-diphenylaniline).

Molecular Properties

Compound Name9H-carbazole;bis(N,N-diphenylaniline)
PubChem CID174838898
Molecular FormulaC48H39N3
Molecular Weight657.86 g/mol
Exact Mass657.31
IUPAC Name9H-carbazole;bis(N,N-diphenylaniline)
SMILESc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/2C18H15N.C12H9N/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2*1-15H;1-8,13H
InChIKeyDFMBIRTZMKEAAE-UHFFFAOYSA-N
XLogP13.63
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.86
LogP ≤ 513.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-carbazole;N,N-diphenylaniline;pyridine
CID 175394994
9H-carbazole
CID 66668984
4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
CID 144639430
bis(9H-carbazole);propane
CID 90987002
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;carbonic acid
CID 67577328
bromomethane;9H-carbazole
CID 67594562
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;bis(N,N-diphenylaniline)?
The IUPAC name of 9H-carbazole;bis(N,N-diphenylaniline) (CID 174838898) is 9H-carbazole;bis(N,N-diphenylaniline).
What is the SMILES notation for 9H-carbazole;bis(N,N-diphenylaniline)?
The canonical SMILES for 9H-carbazole;bis(N,N-diphenylaniline) is c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;bis(N,N-diphenylaniline)?
The InChIKey is DFMBIRTZMKEAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15N.C12H9N/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h2*1-15H;1-8,13H.
What are the key properties of 9H-carbazole;bis(N,N-diphenylaniline)?
9H-carbazole;bis(N,N-diphenylaniline) has a molecular weight of 657.86 g/mol, XLogP of 13.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;bis(N,N-diphenylaniline) is sourced from PubChem (CID 174838898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).