N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline

C48H41N — CID 163566029

IUPACN,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cccc2C1(C)C
InChIInChI=1S/C48H41N/c1-47(2)44-27-17-26-42(46(44)43-29-28-36(33-45(43)48(47,3)4)34-18-9-5-10-19-34)38-30-37(35-20-11-6-12-21-35)31-41(32-38)49(39-22-13-7-14-23-39)40-24-15-8-16-25-40/h5-33H,1-4H3
InChIKeyJJEPMFXEMZICGF-UHFFFAOYSA-N
MW631.86 g/mol
LogP13.39
Rot. Bonds6

About N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline

N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline (PubChem CID 163566029) has the molecular formula C48H41N and a molecular weight of 631.86 g/mol. Its IUPAC name is N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline.

Molecular Properties

Compound NameN,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline
PubChem CID163566029
Molecular FormulaC48H41N
Molecular Weight631.86 g/mol
Exact Mass631.32
IUPAC NameN,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cccc2C1(C)C
InChIInChI=1S/C48H41N/c1-47(2)44-27-17-26-42(46(44)43-29-28-36(33-45(43)48(47,3)4)34-18-9-5-10-19-34)38-30-37(35-20-11-6-12-21-35)31-41(32-38)49(39-22-13-7-14-23-39)40-24-15-8-16-25-40/h5-33H,1-4H3
InChIKeyJJEPMFXEMZICGF-UHFFFAOYSA-N
XLogP13.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.86
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline 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

N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-4-yl)phenyl]aniline
CID 176764796
9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
CID 163438954
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764738
4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764668
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 163849561
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
9,9,10,10-tetramethyl-N,N-bis(4-phenylphenyl)phenanthren-2-amine
CID 163436453
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950

Frequently Asked Questions

What is the IUPAC name of N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline?
The IUPAC name of N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline (CID 163566029) is N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline.
What is the SMILES notation for N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline?
The canonical SMILES for N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline is CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cccc2C1(C)C.
What is the InChIKey of N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline?
The InChIKey is JJEPMFXEMZICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N/c1-47(2)44-27-17-26-42(46(44)43-29-28-36(33-45(43)48(47,3)4)34-18-9-5-10-19-34)38-30-37(35-20-11-6-12-21-35)31-41(32-38)49(39-22-13-7-14-23-39)40-24-15-8-16-25-40/h5-33H,1-4H3.
What are the key properties of N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline?
N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline has a molecular weight of 631.86 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)aniline is sourced from PubChem (CID 163566029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).