N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine

C44H38N2 — CID 155395667

IUPACN-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine
SMILESC/C=C\c1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4CCC=C5)cc3)cc2)c1C
InChIInChI=1S/C44H38N2/c1-3-14-34-16-12-23-43(33(34)2)45(38-18-6-4-7-19-38)40-29-25-35(26-30-40)36-27-31-41(32-28-36)46(39-20-8-5-9-21-39)44-24-13-17-37-15-10-11-22-42(37)44/h3-10,12-21,23-32H,11,22H2,1-2H3/b14-3-
InChIKeyFTOHHFIZMWTWJI-BNNQUZSASA-N
MW594.80 g/mol
LogP12.59
Rot. Bonds8

About N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine

N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine (PubChem CID 155395667) has the molecular formula C44H38N2 and a molecular weight of 594.80 g/mol. Its IUPAC name is N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine
PubChem CID155395667
Molecular FormulaC44H38N2
Molecular Weight594.80 g/mol
Exact Mass594.30
IUPAC NameN-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine
SMILESC/C=C\c1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4CCC=C5)cc3)cc2)c1C
InChIInChI=1S/C44H38N2/c1-3-14-34-16-12-23-43(33(34)2)45(38-18-6-4-7-19-38)40-29-25-35(26-30-40)36-27-31-41(32-28-36)46(39-20-8-5-9-21-39)44-24-13-17-37-15-10-11-22-42(37)44/h3-10,12-21,23-32H,11,22H2,1-2H3/b14-3-
InChIKeyFTOHHFIZMWTWJI-BNNQUZSASA-N
XLogP12.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.80
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
CID 145093930
2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189614
N-[4-[4-[4-(7,8-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N,6-diphenyldibenzofuran-4-amine
CID 130241224
N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 155148864
N,N-diphenyl-3,4-dihydrochrysen-6-amine
CID 89056693
N-[4-[2-(11,12-dihydrobenzo[c]phenanthren-1-yl)ethenyl]phenyl]-6,9,9-trimethyl-N-(4-phenylphenyl)-5,6-dihydrofluoren-4-amine
CID 170228744
4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 143685003
N-(4-tert-butylphenyl)-8-(7,8-dihydronaphthalen-1-yl)-N-phenylbenzo[c]phenanthren-5-amine
CID 89086339
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
N-[4-(2-cyclohexa-1,5-dien-1-ylethenyl)phenyl]-2-methyl-N-phenylaniline;ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
CID 90777522
1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine
CID 143254534
ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
CID 91295251

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine?
The IUPAC name of N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine (CID 155395667) is N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine is C/C=C\c1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4CCC=C5)cc3)cc2)c1C.
What is the InChIKey of N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine?
The InChIKey is FTOHHFIZMWTWJI-BNNQUZSASA-N. The full InChI is InChI=1S/C44H38N2/c1-3-14-34-16-12-23-43(33(34)2)45(38-18-6-4-7-19-38)40-29-25-35(26-30-40)36-27-31-41(32-28-36)46(39-20-8-5-9-21-39)44-24-13-17-37-15-10-11-22-42(37)44/h3-10,12-21,23-32H,11,22H2,1-2H3/b14-3-.
What are the key properties of N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine?
N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine has a molecular weight of 594.80 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine is sourced from PubChem (CID 155395667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).