N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline

C39H39N — CID 143477648

IUPACN,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline
SMILESC=C(C1=C(C(C)C/C=C(\C)c2cccc(N(C)c3ccccc3C)c2)CC=C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C39H39N/c1-28(35-16-11-17-36(27-35)40(5)39-20-10-9-13-30(39)3)21-22-29(2)37-18-12-19-38(37)31(4)32-23-25-34(26-24-32)33-14-7-6-8-15-33/h6-17,19-21,23-27,29H,4,18,22H2,1-3,5H3/b28-21+
InChIKeyYYBJTQDJESQEQN-SGWCAAJKSA-N
MW521.75 g/mol
LogP10.83
Rot. Bonds9

About N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline

N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline (PubChem CID 143477648) has the molecular formula C39H39N and a molecular weight of 521.75 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline
PubChem CID143477648
Molecular FormulaC39H39N
Molecular Weight521.75 g/mol
Exact Mass521.31
IUPAC NameN,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline
SMILESC=C(C1=C(C(C)C/C=C(\C)c2cccc(N(C)c3ccccc3C)c2)CC=C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C39H39N/c1-28(35-16-11-17-36(27-35)40(5)39-20-10-9-13-30(39)3)21-22-29(2)37-18-12-19-38(37)31(4)32-23-25-34(26-24-32)33-14-7-6-8-15-33/h6-17,19-21,23-27,29H,4,18,22H2,1-3,5H3/b28-21+
InChIKeyYYBJTQDJESQEQN-SGWCAAJKSA-N
XLogP10.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.75
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(N,2-dimethylanilino)-2-fluorobenzoic acid
CID 113319816
2-methyl-N-prop-1-en-2-yl-N-(4-prop-1-en-2-ylphenyl)aniline
CID 143656363
N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63552513
N,2-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 142481987
2-[(3Z)-5-aminopenta-1,3-dien-2-yl]-4-[(3E,5Z)-2-[2-[(2R)-butan-2-yl]phenyl]hepta-1,3,5-trien-4-yl]-N-methyl-N-(4-phenylphenyl)aniline;but-1-ene;2,4-dimethyl-1-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)benzene;ethane
CID 142357093
4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121322879
1,5-dimethoxy-2,4-bis[1-(4-phenylphenyl)ethenyl]benzene
CID 132542324
N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine
CID 89265145
N-methyl-2-[4-(3-methylphenyl)phenyl]-N-phenylaniline;1-methylnaphthalene;toluene
CID 144911514
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CID 145167132

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline?
The IUPAC name of N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline (CID 143477648) is N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline.
What is the SMILES notation for N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline?
The canonical SMILES for N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline is C=C(C1=C(C(C)C/C=C(\C)c2cccc(N(C)c3ccccc3C)c2)CC=C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline?
The InChIKey is YYBJTQDJESQEQN-SGWCAAJKSA-N. The full InChI is InChI=1S/C39H39N/c1-28(35-16-11-17-36(27-35)40(5)39-20-10-9-13-30(39)3)21-22-29(2)37-18-12-19-38(37)31(4)32-23-25-34(26-24-32)33-14-7-6-8-15-33/h6-17,19-21,23-27,29H,4,18,22H2,1-3,5H3/b28-21+.
What are the key properties of N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline?
N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline has a molecular weight of 521.75 g/mol, XLogP of 10.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-[(E)-5-[2-[1-(4-phenylphenyl)ethenyl]cyclopenta-1,3-dien-1-yl]hex-2-en-2-yl]phenyl]aniline is sourced from PubChem (CID 143477648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).