4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine

C42H38N2 — CID 163698400

IUPAC4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2C1(C)C
InChIInChI=1S/C42H38N2/c1-41(2)38-21-13-11-20-36(38)37-29-30(23-28-39(37)42(41,3)4)35-19-12-14-22-40(35)43-31-24-26-34(27-25-31)44(32-15-7-5-8-16-32)33-17-9-6-10-18-33/h5-29,43H,1-4H3
InChIKeyPYHKFTRZULTIDT-UHFFFAOYSA-N
MW570.78 g/mol
LogP11.80
Rot. Bonds6

About 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine

4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine (PubChem CID 163698400) has the molecular formula C42H38N2 and a molecular weight of 570.78 g/mol. Its IUPAC name is 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine
PubChem CID163698400
Molecular FormulaC42H38N2
Molecular Weight570.78 g/mol
Exact Mass570.30
IUPAC Name4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2C1(C)C
InChIInChI=1S/C42H38N2/c1-41(2)38-21-13-11-20-36(38)37-29-30(23-28-39(37)42(41,3)4)35-19-12-14-22-40(35)43-31-24-26-34(27-25-31)44(32-15-7-5-8-16-32)33-17-9-6-10-18-33/h5-29,43H,1-4H3
InChIKeyPYHKFTRZULTIDT-UHFFFAOYSA-N
XLogP11.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.78
LogP ≤ 511.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972
N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
CID 22497353
1-N,3-N,5-N-tris[2-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,3,5-triamine
CID 22034592
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
4-N,4-N-bis[4-[2-(3-methylphenyl)anilino]phenyl]-1-N-[2-(3-methylphenyl)phenyl]benzene-1,4-diamine
CID 22723550
4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764668
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N-phenyl-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline
CID 176764727
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine (CID 163698400) is 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine is CC1(C)c2ccccc2-c2cc(-c3ccccc3Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2C1(C)C.
What is the InChIKey of 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine?
The InChIKey is PYHKFTRZULTIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N2/c1-41(2)38-21-13-11-20-36(38)37-29-30(23-28-39(37)42(41,3)4)35-19-12-14-22-40(35)43-31-24-26-34(27-25-31)44(32-15-7-5-8-16-32)33-17-9-6-10-18-33/h5-29,43H,1-4H3.
What are the key properties of 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine?
4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine has a molecular weight of 570.78 g/mol, XLogP of 11.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diphenyl-1-N-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 163698400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).