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

C42H37N — CID 163966950

IUPACN,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)ccc2C1(C)C
InChIInChI=1S/C42H37N/c1-41(2)39-25-23-32(30-15-8-5-9-16-30)28-37(39)38-29-33(24-26-40(38)42(41,3)4)31-17-14-22-36(27-31)43(34-18-10-6-11-19-34)35-20-12-7-13-21-35/h5-29H,1-4H3
InChIKeyPTUUJBZQDNTUKG-UHFFFAOYSA-N
MW555.77 g/mol
LogP11.73
Rot. Bonds5

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

N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline (PubChem CID 163966950) has the molecular formula C42H37N and a molecular weight of 555.77 g/mol. Its IUPAC name is N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
PubChem CID163966950
Molecular FormulaC42H37N
Molecular Weight555.77 g/mol
Exact Mass555.29
IUPAC NameN,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)ccc2C1(C)C
InChIInChI=1S/C42H37N/c1-41(2)39-25-23-32(30-15-8-5-9-16-30)28-37(39)38-29-33(24-26-40(38)42(41,3)4)31-17-14-22-36(27-31)43(34-18-10-6-11-19-34)35-20-12-7-13-21-35/h5-29H,1-4H3
InChIKeyPTUUJBZQDNTUKG-UHFFFAOYSA-N
XLogP11.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.77
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
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,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline?
The IUPAC name of N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline (CID 163966950) is N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline.
What is the SMILES notation for N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline?
The canonical SMILES for N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)ccc2C1(C)C.
What is the InChIKey of N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline?
The InChIKey is PTUUJBZQDNTUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N/c1-41(2)39-25-23-32(30-15-8-5-9-16-30)28-37(39)38-29-33(24-26-40(38)42(41,3)4)31-17-14-22-36(27-31)43(34-18-10-6-11-19-34)35-20-12-7-13-21-35/h5-29H,1-4H3.
What are the key properties of N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline?
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline has a molecular weight of 555.77 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline is sourced from PubChem (CID 163966950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).