2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine

C180H144N8 — CID 161113006

IUPAC2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
SMILESC=C/C=C(\C=C)N(c1ccccc1)c1ccc2cc3cc(N(c4ccccc4)c4ccccc4)ccc3c(-c3ccccc3)c2c1.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c(ccc4c(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)cccc43)c3c2=CCCC=3)cc1C.c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c2)cc1
InChIInChI=1S/C50H48N2.C48H34N2.C44H34N2.C38H28N2/c1-31-16-20-39(26-35(31)5)51(40-21-17-32(2)36(6)27-40)49-15-11-14-44-47(49)25-24-45-43-12-9-10-13-46(43)50(30-48(44)45)52(41-22-18-33(3)37(7)28-41)42-23-19-34(4)38(8)29-42;1-5-17-40(18-6-1)49(41-19-7-2-8-20-41)44-29-30-46-39(33-44)32-37-27-28-45(50(42-21-9-3-10-22-42)43-23-11-4-12-24-43)34-47(37)48(46)38-26-25-35-15-13-14-16-36(35)31-38;1-3-17-36(4-2)45(37-20-11-6-12-21-37)41-27-26-34-30-35-31-40(46(38-22-13-7-14-23-38)39-24-15-8-16-25-39)28-29-42(35)44(43(34)32-41)33-18-9-5-10-19-33;1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h11-30H,9-10H2,1-8H3;1-34H;3-32H,1-2H2;1-28H/b;;36-17+;
InChIKeyUJYGRCTWIAVIFV-SVZSVCIZSA-N
MW2419.19 g/mol
LogP49.96
Rot. Bonds28

About 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine

2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine (PubChem CID 161113006) has the molecular formula C180H144N8 and a molecular weight of 2419.19 g/mol. Its IUPAC name is 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
PubChem CID161113006
Molecular FormulaC180H144N8
Molecular Weight2419.19 g/mol
Exact Mass2417.15
IUPAC Name2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
SMILESC=C/C=C(\C=C)N(c1ccccc1)c1ccc2cc3cc(N(c4ccccc4)c4ccccc4)ccc3c(-c3ccccc3)c2c1.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c(ccc4c(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)cccc43)c3c2=CCCC=3)cc1C.c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c2)cc1
InChIInChI=1S/C50H48N2.C48H34N2.C44H34N2.C38H28N2/c1-31-16-20-39(26-35(31)5)51(40-21-17-32(2)36(6)27-40)49-15-11-14-44-47(49)25-24-45-43-12-9-10-13-46(43)50(30-48(44)45)52(41-22-18-33(3)37(7)28-41)42-23-19-34(4)38(8)29-42;1-5-17-40(18-6-1)49(41-19-7-2-8-20-41)44-29-30-46-39(33-44)32-37-27-28-45(50(42-21-9-3-10-22-42)43-23-11-4-12-24-43)34-47(37)48(46)38-26-25-35-15-13-14-16-36(35)31-38;1-3-17-36(4-2)45(37-20-11-6-12-21-37)41-27-26-34-30-35-31-40(46(38-22-13-7-14-23-38)39-24-15-8-16-25-39)28-29-42(35)44(43(34)32-41)33-18-9-5-10-19-33;1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h11-30H,9-10H2,1-8H3;1-34H;3-32H,1-2H2;1-28H/b;;36-17+;
InChIKeyUJYGRCTWIAVIFV-SVZSVCIZSA-N
XLogP49.96
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002419.19
LogP ≤ 549.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine with MolForge

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Related Compounds

9,10-dibenzhydrylanthracene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3-dihydrochrysene-6,12-diamine
CID 157352445
ethane;N-[3-[4-[4-[[(3E)-hexa-1,3,5-trien-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 145407631
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
9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
CID 157087536
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-dinaphthalen-2-ylchrysene-6,12-diamine
CID 59515013
9-N,10-N-bis(2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;1-N,5-N-dinaphthalen-2-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine;1-N,5-N-diphenyl-1-N,5-N-bis(3-phenylphenyl)naphthalene-1,5-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-3-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]aniline;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 159413951
9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
CID 90194200
N,N-bis(4-anthracen-9-ylphenyl)phenanthren-1-amine
CID 121285036
1-N,9-N-dinaphthalen-2-yl-1-N,9-N-diphenylchrysene-1,9-diamine
CID 170410643
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?
The IUPAC name of 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine (CID 161113006) is 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine.
What is the SMILES notation for 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?
The canonical SMILES for 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine is C=C/C=C(\C=C)N(c1ccccc1)c1ccc2cc3cc(N(c4ccccc4)c4ccccc4)ccc3c(-c3ccccc3)c2c1.Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3c(ccc4c(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)cccc43)c3c2=CCCC=3)cc1C.c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c2)cc1.
What is the InChIKey of 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?
The InChIKey is UJYGRCTWIAVIFV-SVZSVCIZSA-N. The full InChI is InChI=1S/C50H48N2.C48H34N2.C44H34N2.C38H28N2/c1-31-16-20-39(26-35(31)5)51(40-21-17-32(2)36(6)27-40)49-15-11-14-44-47(49)25-24-45-43-12-9-10-13-46(43)50(30-48(44)45)52(41-22-18-33(3)37(7)28-41)42-23-19-34(4)38(8)29-42;1-5-17-40(18-6-1)49(41-19-7-2-8-20-41)44-29-30-46-39(33-44)32-37-27-28-45(50(42-21-9-3-10-22-42)43-23-11-4-12-24-43)34-47(37)48(46)38-26-25-35-15-13-14-16-36(35)31-38;1-3-17-36(4-2)45(37-20-11-6-12-21-37)41-27-26-34-30-35-31-40(46(38-22-13-7-14-23-38)39-24-15-8-16-25-39)28-29-42(35)44(43(34)32-41)33-18-9-5-10-19-33;1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h11-30H,9-10H2,1-8H3;1-34H;3-32H,1-2H2;1-28H/b;;36-17+;.
What are the key properties of 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?
2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine has a molecular weight of 2419.19 g/mol, XLogP of 49.96, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,6-N,6-N,9-tetraphenylanthracene-2,6-diamine;9-naphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;1-N,1-N,6-N,6-N-tetrakis(3,4-dimethylphenyl)-8,9-dihydrochrysene-1,6-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine is sourced from PubChem (CID 161113006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).