9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine

C46H34N2 — CID 145488159

IUPAC9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
SMILESC(=C\c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1)\c1ccccc1
InChIInChI=1S/C46H34N2/c1-5-17-35(18-6-1)29-30-36-31-33-40(34-32-36)48(39-23-11-4-12-24-39)46-43-27-15-13-25-41(43)45(42-26-14-16-28-44(42)46)47(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h1-34H/b30-29-
InChIKeyCAQDMTUXYWTLSC-FLWNBWAVSA-N
MW614.79 g/mol
LogP13.10
Rot. Bonds8

About 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine

9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine (PubChem CID 145488159) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
PubChem CID145488159
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC Name9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
SMILESC(=C\c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1)\c1ccccc1
InChIInChI=1S/C46H34N2/c1-5-17-35(18-6-1)29-30-36-31-33-40(34-32-36)48(39-23-11-4-12-24-39)46-43-27-15-13-25-41(43)45(42-26-14-16-28-44(42)46)47(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h1-34H/b30-29-
InChIKeyCAQDMTUXYWTLSC-FLWNBWAVSA-N
XLogP13.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(E)-2-[4-(N-anthracen-9-ylanilino)phenyl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59398958
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-phenylethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 20733622
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983474
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-phenyl-N-[4-[(E)-2-phenylethenyl]phenyl]-10-pyren-1-ylanthracen-9-amine
CID 59294930
N-[4-[(E)-2-[6-(N-anthracen-9-ylanilino)naphthalen-2-yl]ethenyl]phenyl]-N-phenylanthracen-9-amine
CID 59270571

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine (CID 145488159) is 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine is C(=C\c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1)\c1ccccc1.
What is the InChIKey of 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine?
The InChIKey is CAQDMTUXYWTLSC-FLWNBWAVSA-N. The full InChI is InChI=1S/C46H34N2/c1-5-17-35(18-6-1)29-30-36-31-33-40(34-32-36)48(39-23-11-4-12-24-39)46-43-27-15-13-25-41(43)45(42-26-14-16-28-44(42)46)47(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h1-34H/b30-29-.
What are the key properties of 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine?
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine has a molecular weight of 614.79 g/mol, XLogP of 13.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine is sourced from PubChem (CID 145488159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).