1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine

C67H52N4 — CID 166657814

IUPAC1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESCC1C=C(N(c2ccc(N(c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)C=CC1
InChIInChI=1S/C67H52N4/c1-49-15-14-26-64(45-49)71(67-32-29-52-18-10-13-21-55(52)48-67)63-43-37-60(38-44-63)68(58-33-39-61(40-34-58)69(56-22-4-2-5-23-56)65-30-27-50-16-8-11-19-53(50)46-65)59-35-41-62(42-36-59)70(57-24-6-3-7-25-57)66-31-28-51-17-9-12-20-54(51)47-66/h2-14,16-49H,15H2,1H3
InChIKeyJEBCINNLCSDLOM-UHFFFAOYSA-N
MW913.18 g/mol
LogP19.17
Rot. Bonds12

About 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine

1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine (PubChem CID 166657814) has the molecular formula C67H52N4 and a molecular weight of 913.18 g/mol. Its IUPAC name is 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
PubChem CID166657814
Molecular FormulaC67H52N4
Molecular Weight913.18 g/mol
Exact Mass912.42
IUPAC Name1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESCC1C=C(N(c2ccc(N(c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)C=CC1
InChIInChI=1S/C67H52N4/c1-49-15-14-26-64(45-49)71(67-32-29-52-18-10-13-21-55(52)48-67)63-43-37-60(38-44-63)68(58-33-39-61(40-34-58)69(56-22-4-2-5-23-56)65-30-27-50-16-8-11-19-53(50)46-65)59-35-41-62(42-36-59)70(57-24-6-3-7-25-57)66-31-28-51-17-9-12-20-54(51)47-66/h2-14,16-49H,15H2,1H3
InChIKeyJEBCINNLCSDLOM-UHFFFAOYSA-N
XLogP19.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.18
LogP ≤ 519.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine with MolForge

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Related Compounds

7-N-[8-(N-(3-methylcyclohexa-1,5-dien-1-yl)anilino)dibenzofuran-3-yl]-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 129194485
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-(3-methylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 163446399
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 145410466
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
CID 70891422
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(7,8-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 89189824

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine (CID 166657814) is 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine is CC1C=C(N(c2ccc(N(c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)C=CC1.
What is the InChIKey of 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The InChIKey is JEBCINNLCSDLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N4/c1-49-15-14-26-64(45-49)71(67-32-29-52-18-10-13-21-55(52)48-67)63-43-37-60(38-44-63)68(58-33-39-61(40-34-58)69(56-22-4-2-5-23-56)65-30-27-50-16-8-11-19-53(50)46-65)59-35-41-62(42-36-59)70(57-24-6-3-7-25-57)66-31-28-51-17-9-12-20-54(51)47-66/h2-14,16-49H,15H2,1H3.
What are the key properties of 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine has a molecular weight of 913.18 g/mol, XLogP of 19.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 166657814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).