N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline

C48H41N — CID 163502373

IUPACN,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)ccc2C1(C)C
InChIInChI=1S/C48H41N/c1-47(2)45-28-26-38(35-18-10-6-11-19-35)32-43(45)44-33-39(27-29-46(44)48(47,3)4)37-21-15-25-42(31-37)49(40-22-12-7-13-23-40)41-24-14-20-36(30-41)34-16-8-5-9-17-34/h5-33H,1-4H3
InChIKeyGIAFJDGFZKBOFL-UHFFFAOYSA-N
MW631.86 g/mol
LogP13.39
Rot. Bonds6

About N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline

N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline (PubChem CID 163502373) has the molecular formula C48H41N and a molecular weight of 631.86 g/mol. Its IUPAC name is N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
PubChem CID163502373
Molecular FormulaC48H41N
Molecular Weight631.86 g/mol
Exact Mass631.32
IUPAC NameN,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)ccc2C1(C)C
InChIInChI=1S/C48H41N/c1-47(2)45-28-26-38(35-18-10-6-11-19-35)32-43(45)44-33-39(27-29-46(44)48(47,3)4)37-21-15-25-42(31-37)49(40-22-12-7-13-23-40)41-24-14-20-36(30-41)34-16-8-5-9-17-34/h5-33H,1-4H3
InChIKeyGIAFJDGFZKBOFL-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

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Related Compounds

N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]aniline
CID 176764738
N-phenyl-3-(4-phenylphenyl)-N-[3-(9,9,10,10-tetramethylphenanthren-4-yl)phenyl]aniline
CID 176764796
N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline
CID 163815741
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167176479
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
9,9,10,10-tetramethyl-N-phenyl-N-[3-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenanthren-3-amine
CID 163438954
ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
N-phenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]dibenzothiophen-1-amine
CID 163699330
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163838699

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline?
The IUPAC name of N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline (CID 163502373) is N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline.
What is the SMILES notation for N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline?
The canonical SMILES for N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)ccc2C1(C)C.
What is the InChIKey of N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline?
The InChIKey is GIAFJDGFZKBOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N/c1-47(2)45-28-26-38(35-18-10-6-11-19-35)32-43(45)44-33-39(27-29-46(44)48(47,3)4)37-21-15-25-42(31-37)49(40-22-12-7-13-23-40)41-24-14-20-36(30-41)34-16-8-5-9-17-34/h5-33H,1-4H3.
What are the key properties of N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline?
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]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,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline is sourced from PubChem (CID 163502373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).