9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine

C42H36N2 — CID 20734448

IUPAC9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
SMILESCc1cccc(N(c2cccc(C)c2)c2c(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C42H36N2/c1-29-13-9-17-33(25-29)43(34-18-10-14-30(2)26-34)41-39-23-7-5-21-37(39)38-22-6-8-24-40(38)42(41)44(35-19-11-15-31(3)27-35)36-20-12-16-32(4)28-36/h5-28H,1-4H3
InChIKeyUWVWGQSGGQUAGQ-UHFFFAOYSA-N
MW568.76 g/mol
LogP12.17
Rot. Bonds6

About 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine

9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine (PubChem CID 20734448) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
PubChem CID20734448
Molecular FormulaC42H36N2
Molecular Weight568.76 g/mol
Exact Mass568.29
IUPAC Name9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
SMILESCc1cccc(N(c2cccc(C)c2)c2c(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1
InChIInChI=1S/C42H36N2/c1-29-13-9-17-33(25-29)43(34-18-10-14-30(2)26-34)41-39-23-7-5-21-37(39)38-22-6-8-24-40(38)42(41)44(35-19-11-15-31(3)27-35)36-20-12-16-32(4)28-36/h5-28H,1-4H3
InChIKeyUWVWGQSGGQUAGQ-UHFFFAOYSA-N
XLogP12.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
9-N,9-N,10-N,10-N-tetrakis(3,4-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 158542948
2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 20720491
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
N,N-bis(3-methylphenyl)chrysen-6-amine
CID 23520689
9-N,10-N-di(dibenzothiophen-4-yl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine
CID 58461923
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
CID 18941763

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine (CID 20734448) is 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine is Cc1cccc(N(c2cccc(C)c2)c2c(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c3ccccc23)c1.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine?
The InChIKey is UWVWGQSGGQUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2/c1-29-13-9-17-33(25-29)43(34-18-10-14-30(2)26-34)41-39-23-7-5-21-37(39)38-22-6-8-24-40(38)42(41)44(35-19-11-15-31(3)27-35)36-20-12-16-32(4)28-36/h5-28H,1-4H3.
What are the key properties of 9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine?
9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine has a molecular weight of 568.76 g/mol, XLogP of 12.17, 6 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,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine is sourced from PubChem (CID 20734448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).