N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine

C46H42N2 — CID 155148864

IUPACN-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C=CCC5)cc3)cc2)c1/C=C\C(C)C
InChIInChI=1S/C46H42N2/c1-34(2)24-33-43-35(3)14-12-22-45(43)47(39-17-6-4-7-18-39)41-29-25-36(26-30-41)37-27-31-42(32-28-37)48(40-19-8-5-9-20-40)46-23-13-16-38-15-10-11-21-44(38)46/h4-9,11-14,16-34H,10,15H2,1-3H3/b33-24-
InChIKeyXNBLYRMGTNDSHI-GIBOGKFOSA-N
MW622.86 g/mol
LogP13.23
Rot. Bonds9

About N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine

N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine (PubChem CID 155148864) has the molecular formula C46H42N2 and a molecular weight of 622.86 g/mol. Its IUPAC name is N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
PubChem CID155148864
Molecular FormulaC46H42N2
Molecular Weight622.86 g/mol
Exact Mass622.33
IUPAC NameN-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C=CCC5)cc3)cc2)c1/C=C\C(C)C
InChIInChI=1S/C46H42N2/c1-34(2)24-33-43-35(3)14-12-22-45(43)47(39-17-6-4-7-18-39)41-29-25-36(26-30-41)37-27-31-42(32-28-37)48(40-19-8-5-9-20-40)46-23-13-16-38-15-10-11-21-44(38)46/h4-9,11-14,16-34H,10,15H2,1-3H3/b33-24-
InChIKeyXNBLYRMGTNDSHI-GIBOGKFOSA-N
XLogP13.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.86
LogP ≤ 513.23
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
4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 143685003
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
N-[4-[4-[N-(5,6-dihydronaphthalen-1-yl)-4-ethenylanilino]phenyl]phenyl]-N-(4-ethylphenyl)-5,6-dihydronaphthalen-1-amine
CID 170040436
N-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
CID 143727348
N-[4-[3-[4-[N-(5,6-dihydronaphthalen-1-yl)anilino]phenyl]-5-methyl-7,8-dihydroquinoxalin-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 163927412
3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170022525
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine
CID 155395667
2-N-(5,6-dihydronaphthalen-1-yl)-7-N-(1H-indol-5-yl)-9,9-dimethyl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;S-sulfanylthiohydroxylamine
CID 145321926
N-(2-methylphenyl)-N,5,6,8-tetraphenyl-11,12-dihydrotriphenylen-2-amine
CID 89083504

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine?
The IUPAC name of 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) is N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4C=CCC5)cc3)cc2)c1/C=C\C(C)C.
What is the InChIKey of N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine?
The InChIKey is XNBLYRMGTNDSHI-GIBOGKFOSA-N. The full InChI is InChI=1S/C46H42N2/c1-34(2)24-33-43-35(3)14-12-22-45(43)47(39-17-6-4-7-18-39)41-29-25-36(26-30-41)37-27-31-42(32-28-37)48(40-19-8-5-9-20-40)46-23-13-16-38-15-10-11-21-44(38)46/h4-9,11-14,16-34H,10,15H2,1-3H3/b33-24-.
What are the key properties of N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine?
N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine has a molecular weight of 622.86 g/mol, XLogP of 13.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-[3-methyl-2-[(Z)-3-methylbut-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine is sourced from PubChem (CID 155148864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).