N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine

C43H39N — CID 123612637

IUPACN-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine
SMILESCC1=C(C)C(C)(C)c2cc(N(c3ccc(C4=CCCC=C4)cc3)c3ccccc3-c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C43H39N/c1-30-31(2)43(3,4)41-29-36(27-28-37(30)41)44(35-25-23-33(24-26-35)32-15-7-5-8-16-32)42-22-14-13-21-40(42)39-20-12-11-19-38(39)34-17-9-6-10-18-34/h6-7,9-29H,5,8H2,1-4H3
InChIKeyJOVRGJVBVSLHNU-UHFFFAOYSA-N
MW569.79 g/mol
LogP12.31
Rot. Bonds6

About N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine (PubChem CID 123612637) has the molecular formula C43H39N and a molecular weight of 569.79 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine
PubChem CID123612637
Molecular FormulaC43H39N
Molecular Weight569.79 g/mol
Exact Mass569.31
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine
SMILESCC1=C(C)C(C)(C)c2cc(N(c3ccc(C4=CCCC=C4)cc3)c3ccccc3-c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C43H39N/c1-30-31(2)43(3,4)41-29-36(27-28-37(30)41)44(35-25-23-33(24-26-35)32-15-7-5-8-16-32)42-22-14-13-21-40(42)39-20-12-11-19-38(39)34-17-9-6-10-18-34/h6-7,9-29H,5,8H2,1-4H3
InChIKeyJOVRGJVBVSLHNU-UHFFFAOYSA-N
XLogP12.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 145303021
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene
CID 144558297
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-7-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylfluoren-2-amine
CID 121391735
5-cyclohexa-1,5-dien-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167252538
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine (CID 123612637) is N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine is CC1=C(C)C(C)(C)c2cc(N(c3ccc(C4=CCCC=C4)cc3)c3ccccc3-c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine?
The InChIKey is JOVRGJVBVSLHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N/c1-30-31(2)43(3,4)41-29-36(27-28-37(30)41)44(35-25-23-33(24-26-35)32-15-7-5-8-16-32)42-22-14-13-21-40(42)39-20-12-11-19-38(39)34-17-9-6-10-18-34/h6-7,9-29H,5,8H2,1-4H3.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine?
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine has a molecular weight of 569.79 g/mol, XLogP of 12.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine is sourced from PubChem (CID 123612637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).