9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine

C38H24Cl4N2 — CID 20665542

IUPAC9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine
SMILESClc1ccc(N(c2ccc(Cl)cc2)c2c3ccccc3c(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C38H24Cl4N2/c39-25-9-17-29(18-10-25)43(30-19-11-26(40)12-20-30)37-33-5-1-2-6-34(33)38(36-8-4-3-7-35(36)37)44(31-21-13-27(41)14-22-31)32-23-15-28(42)16-24-32/h1-24H
InChIKeyQINZTVHOOTWOCG-UHFFFAOYSA-N
MW650.44 g/mol
LogP13.55
Rot. Bonds6

About 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine (PubChem CID 20665542) has the molecular formula C38H24Cl4N2 and a molecular weight of 650.44 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine
PubChem CID20665542
Molecular FormulaC38H24Cl4N2
Molecular Weight650.44 g/mol
Exact Mass648.07
IUPAC Name9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine
SMILESClc1ccc(N(c2ccc(Cl)cc2)c2c3ccccc3c(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C38H24Cl4N2/c39-25-9-17-29(18-10-25)43(30-19-11-26(40)12-20-30)37-33-5-1-2-6-34(33)38(36-8-4-3-7-35(36)37)44(31-21-13-27(41)14-22-31)32-23-15-28(42)16-24-32/h1-24H
InChIKeyQINZTVHOOTWOCG-UHFFFAOYSA-N
XLogP13.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.44
LogP ≤ 513.55
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'}

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Related Compounds

9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine
CID 154791883
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 59133310
9-N,9-N,10-N-triphenyl-10-N-[4-[(Z)-2-phenylethenyl]phenyl]anthracene-9,10-diamine
CID 145488159
[4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone
CID 20665503
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)phenanthrene-9,10-diamine
CID 22105096
5-chloro-N,N-diphenylbenzo[g]quinoxalin-10-amine
CID 145195439
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
9-N,10-N-diphenyl-9-N,10-N-bis(4-propylphenyl)anthracene-9,10-diamine
CID 161046775
N,N-diphenyl-20-[10-(N-phenylanilino)anthracen-9-yl]heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaen-9-amine
CID 23568249
7-N,7-N,12-N,12-N-tetraphenylbenzo[a]anthracene-7,12-diamine
CID 59133281

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine (CID 20665542) is 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine is Clc1ccc(N(c2ccc(Cl)cc2)c2c3ccccc3c(N(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine?
The InChIKey is QINZTVHOOTWOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24Cl4N2/c39-25-9-17-29(18-10-25)43(30-19-11-26(40)12-20-30)37-33-5-1-2-6-34(33)38(36-8-4-3-7-35(36)37)44(31-21-13-27(41)14-22-31)32-23-15-28(42)16-24-32/h1-24H.
What are the key properties of 9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine?
9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine has a molecular weight of 650.44 g/mol, XLogP of 13.55, 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(4-chlorophenyl)anthracene-9,10-diamine is sourced from PubChem (CID 20665542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).