N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline

C43H39N — CID 167260382

IUPACN,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
SMILESCC1(C)CC(C)(C)c2cc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C43H39N/c1-42(2)30-43(3,4)40-29-35(25-26-39(40)42)38-23-11-12-24-41(38)44(36-21-13-19-33(27-36)31-15-7-5-8-16-31)37-22-14-20-34(28-37)32-17-9-6-10-18-32/h5-29H,30H2,1-4H3
InChIKeyCQSLFTWYGMWOLM-UHFFFAOYSA-N
MW569.79 g/mol
LogP12.12
Rot. Bonds6

About N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline

N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline (PubChem CID 167260382) has the molecular formula C43H39N and a molecular weight of 569.79 g/mol. Its IUPAC name is N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline.

Molecular Properties

Compound NameN,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
PubChem CID167260382
Molecular FormulaC43H39N
Molecular Weight569.79 g/mol
Exact Mass569.31
IUPAC NameN,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
SMILESCC1(C)CC(C)(C)c2cc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C43H39N/c1-42(2)30-43(3,4)40-29-35(25-26-39(40)42)38-23-11-12-24-41(38)44(36-21-13-19-33(27-36)31-15-7-5-8-16-31)37-22-14-20-34(28-37)32-17-9-6-10-18-32/h5-29H,30H2,1-4H3
InChIKeyCQSLFTWYGMWOLM-UHFFFAOYSA-N
XLogP12.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
N-phenyl-N-[4-[4-(N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 170223047
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 170223052
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 170142044
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline?
The IUPAC name of N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline (CID 167260382) is N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline.
What is the SMILES notation for N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline?
The canonical SMILES for N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline is CC1(C)CC(C)(C)c2cc(-c3ccccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)ccc21.
What is the InChIKey of N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline?
The InChIKey is CQSLFTWYGMWOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N/c1-42(2)30-43(3,4)40-29-35(25-26-39(40)42)38-23-11-12-24-41(38)44(36-21-13-19-33(27-36)31-15-7-5-8-16-31)37-22-14-20-34(28-37)32-17-9-6-10-18-32/h5-29H,30H2,1-4H3.
What are the key properties of N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline?
N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline has a molecular weight of 569.79 g/mol, XLogP of 12.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline is sourced from PubChem (CID 167260382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).