N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine

C144H116N6 — CID 157486126

IUPACN-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C.c1ccc(N(c2ccccc2)c2cccc3c2ccc2c(N(c4ccccc4)c4ccccc4)c4ccccc4cc23)cc1
InChIInChI=1S/C52H40N2.C50H46N2.C42H30N2/c1-5-13-41(14-6-1)21-23-43-25-33-49(34-26-43)53(47-17-9-3-10-18-47)51-37-29-45(30-38-51)46-31-39-52(40-32-46)54(48-19-11-4-12-20-48)50-35-27-44(28-36-50)24-22-42-15-7-2-8-16-42;1-31-17-21-39(25-35(31)5)51(40-22-18-32(2)36(6)26-40)49-29-47-44-14-10-12-16-46(44)50(30-48(47)43-13-9-11-15-45(43)49)52(41-23-19-33(3)37(7)27-41)42-24-20-34(4)38(8)28-42;1-5-17-32(18-6-1)43(33-19-7-2-8-20-33)41-27-15-26-37-38(41)28-29-39-40(37)30-31-16-13-14-25-36(31)42(39)44(34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-40H;9-30H,1-8H3;1-30H/b23-21+,24-22+;;
InChIKeyBWSRKIJVGRCJMY-BAXPPBTCSA-N
MW1930.55 g/mol
LogP41.27
Rot. Bonds23

About N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine

N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine (PubChem CID 157486126) has the molecular formula C144H116N6 and a molecular weight of 1930.55 g/mol. Its IUPAC name is N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine.

Molecular Properties

Compound NameN-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine
PubChem CID157486126
Molecular FormulaC144H116N6
Molecular Weight1930.55 g/mol
Exact Mass1928.93
IUPAC NameN-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine
SMILESC(=C/c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C.c1ccc(N(c2ccccc2)c2cccc3c2ccc2c(N(c4ccccc4)c4ccccc4)c4ccccc4cc23)cc1
InChIInChI=1S/C52H40N2.C50H46N2.C42H30N2/c1-5-13-41(14-6-1)21-23-43-25-33-49(34-26-43)53(47-17-9-3-10-18-47)51-37-29-45(30-38-51)46-31-39-52(40-32-46)54(48-19-11-4-12-20-48)50-35-27-44(28-36-50)24-22-42-15-7-2-8-16-42;1-31-17-21-39(25-35(31)5)51(40-22-18-32(2)36(6)26-40)49-29-47-44-14-10-12-16-46(44)50(30-48(47)43-13-9-11-15-45(43)49)52(41-23-19-33(3)37(7)27-41)42-24-20-34(4)38(8)28-42;1-5-17-32(18-6-1)43(33-19-7-2-8-20-33)41-27-15-26-37-38(41)28-29-39-40(37)30-31-16-13-14-25-36(31)42(39)44(34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-40H;9-30H,1-8H3;1-30H/b23-21+,24-22+;;
InChIKeyBWSRKIJVGRCJMY-BAXPPBTCSA-N
XLogP41.27
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001930.55
LogP ≤ 541.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine with MolForge

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Related Compounds

N-(2-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]phenanthren-9-amine
CID 91467214
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
N-phenyl-N-[4-(2-phenylethenyl)phenyl]chrysen-6-amine
CID 76589956
bis(2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine);2-methyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-phenylethenyl]phenyl]naphthalene-1,4-diamine
CID 160738154
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89067967
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89074731
N-(2-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 89067942
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 59575121

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine?
The IUPAC name of N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine (CID 157486126) is N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine.
What is the SMILES notation for N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine?
The canonical SMILES for N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine is C(=C/c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c4ccccc4c(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)cc3c3ccccc23)cc1C.c1ccc(N(c2ccccc2)c2cccc3c2ccc2c(N(c4ccccc4)c4ccccc4)c4ccccc4cc23)cc1.
What is the InChIKey of N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine?
The InChIKey is BWSRKIJVGRCJMY-BAXPPBTCSA-N. The full InChI is InChI=1S/C52H40N2.C50H46N2.C42H30N2/c1-5-13-41(14-6-1)21-23-43-25-33-49(34-26-43)53(47-17-9-3-10-18-47)51-37-29-45(30-38-51)46-31-39-52(40-32-46)54(48-19-11-4-12-20-48)50-35-27-44(28-36-50)24-22-42-15-7-2-8-16-42;1-31-17-21-39(25-35(31)5)51(40-22-18-32(2)36(6)26-40)49-29-47-44-14-10-12-16-46(44)50(30-48(47)43-13-9-11-15-45(43)49)52(41-23-19-33(3)37(7)27-41)42-24-20-34(4)38(8)28-42;1-5-17-32(18-6-1)43(33-19-7-2-8-20-33)41-27-15-26-37-38(41)28-29-39-40(37)30-31-16-13-14-25-36(31)42(39)44(34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-40H;9-30H,1-8H3;1-30H/b23-21+,24-22+;;.
What are the key properties of N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine?
N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine has a molecular weight of 1930.55 g/mol, XLogP of 41.27, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(E)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)chrysene-6,12-diamine;4-N,4-N,7-N,7-N-tetraphenylbenzo[a]anthracene-4,7-diamine is sourced from PubChem (CID 157486126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).