N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole

C38H40N2 — CID 174958292

IUPACN,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole
SMILESC=C.CC(C)c1cccc2c1[nH]c1ccccc12.CC(C)c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N.C15H15N.C2H4/c1-17(2)20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-2/h3-17H,1-2H3;3-10,16H,1-2H3;1-2H2
InChIKeyBPXFYMCWKVTXND-UHFFFAOYSA-N
MW524.75 g/mol
LogP11.53
Rot. Bonds5

About N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole

N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole (PubChem CID 174958292) has the molecular formula C38H40N2 and a molecular weight of 524.75 g/mol. Its IUPAC name is N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole.

Molecular Properties

Compound NameN,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole
PubChem CID174958292
Molecular FormulaC38H40N2
Molecular Weight524.75 g/mol
Exact Mass524.32
IUPAC NameN,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole
SMILESC=C.CC(C)c1cccc2c1[nH]c1ccccc12.CC(C)c1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N.C15H15N.C2H4/c1-17(2)20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-2/h3-17H,1-2H3;3-10,16H,1-2H3;1-2H2
InChIKeyBPXFYMCWKVTXND-UHFFFAOYSA-N
XLogP11.53
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-propan-2-yl-N-[4-[4-(N-(2-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 19420171
1,8-di(propan-2-yl)-9H-carbazole
CID 174295528
4-[9H-carbazol-1-yl-[4-(N-methylanilino)phenyl]methyl]-N-methyl-N-phenylaniline
CID 70460069
1-chloro-N,N-diphenyl-9H-carbazol-2-amine
CID 154703905
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
1-undecan-2-yl-9H-carbazole
CID 173176720
N-(3-chlorophenyl)-N-(4-naphthalen-2-ylphenyl)-9H-carbazol-1-amine
CID 155096645
9H-carbazol-1-yl(phenyl)methanamine
CID 57120727
1-heptadecan-9-yl-9H-carbazole
CID 132513625
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
1-[2,4,6-tri(propan-2-yl)phenyl]-9H-carbazole
CID 175005160
2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
CID 166135032

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole?
The IUPAC name of N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole (CID 174958292) is N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole.
What is the SMILES notation for N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole?
The canonical SMILES for N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole is C=C.CC(C)c1cccc2c1[nH]c1ccccc12.CC(C)c1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole?
The InChIKey is BPXFYMCWKVTXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N.C15H15N.C2H4/c1-17(2)20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)16-15(11)13;1-2/h3-17H,1-2H3;3-10,16H,1-2H3;1-2H2.
What are the key properties of N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole?
N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole has a molecular weight of 524.75 g/mol, XLogP of 11.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole is sourced from PubChem (CID 174958292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).