N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline

C42H37N — CID 163815741

IUPACN,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)c2C1(C)C
InChIInChI=1S/C42H37N/c1-41(2)39-27-12-11-24-37(39)38-26-15-25-36(40(38)42(41,3)4)32-19-14-23-35(29-32)43(33-20-9-6-10-21-33)34-22-13-18-31(28-34)30-16-7-5-8-17-30/h5-29H,1-4H3
InChIKeySJXHIIBKYLVKLZ-UHFFFAOYSA-N
MW555.77 g/mol
LogP11.73
Rot. Bonds5

About N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline

N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline (PubChem CID 163815741) has the molecular formula C42H37N and a molecular weight of 555.77 g/mol. Its IUPAC name is N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline
PubChem CID163815741
Molecular FormulaC42H37N
Molecular Weight555.77 g/mol
Exact Mass555.29
IUPAC NameN,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)c2C1(C)C
InChIInChI=1S/C42H37N/c1-41(2)39-27-12-11-24-37(39)38-26-15-25-36(40(38)42(41,3)4)32-19-14-23-35(29-32)43(33-20-9-6-10-21-33)34-22-13-18-31(28-34)30-16-7-5-8-17-30/h5-29H,1-4H3
InChIKeySJXHIIBKYLVKLZ-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-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
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
9,9,10,10-tetramethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163608634
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
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
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-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
11,11,12,12,13,13-hexamethyl-N,N-diphenylindeno[2,1-a]phenanthren-9-amine
CID 163475592

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline?
The IUPAC name of N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline (CID 163815741) is N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline.
What is the SMILES notation for N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline?
The canonical SMILES for N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)c2C1(C)C.
What is the InChIKey of N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline?
The InChIKey is SJXHIIBKYLVKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N/c1-41(2)39-27-12-11-24-37(39)38-26-15-25-36(40(38)42(41,3)4)32-19-14-23-35(29-32)43(33-20-9-6-10-21-33)34-22-13-18-31(28-34)30-16-7-5-8-17-30/h5-29H,1-4H3.
What are the key properties of N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline?
N,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]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,3-diphenyl-N-[3-(9,9,10,10-tetramethylphenanthren-1-yl)phenyl]aniline is sourced from PubChem (CID 163815741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).