9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine

C86H84N2 — CID 20665535

IUPAC9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine
SMILESc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccccc6)CCCCC5)cc4)c4c5ccccc5c(N(c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5ccccc45)cc3)CCCCC2)cc1
InChIInChI=1S/C86H84N2/c1-9-29-65(30-10-1)83(57-21-5-22-58-83)69-41-49-73(50-42-69)87(74-51-43-70(44-52-74)84(59-23-6-24-60-84)66-31-11-2-12-32-66)81-77-37-17-19-39-79(77)82(80-40-20-18-38-78(80)81)88(75-53-45-71(46-54-75)85(61-25-7-26-62-85)67-33-13-3-14-34-67)76-55-47-72(48-56-76)86(63-27-8-28-64-86)68-35-15-4-16-36-68/h1-4,9-20,29-56H,5-8,21-28,57-64H2
InChIKeyYBCBSUQRDJIWRR-UHFFFAOYSA-N
MW1145.63 g/mol
LogP23.93
Rot. Bonds14

About 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine (PubChem CID 20665535) has the molecular formula C86H84N2 and a molecular weight of 1145.63 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine
PubChem CID20665535
Molecular FormulaC86H84N2
Molecular Weight1145.63 g/mol
Exact Mass1144.66
IUPAC Name9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine
SMILESc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccccc6)CCCCC5)cc4)c4c5ccccc5c(N(c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5ccccc45)cc3)CCCCC2)cc1
InChIInChI=1S/C86H84N2/c1-9-29-65(30-10-1)83(57-21-5-22-58-83)69-41-49-73(50-42-69)87(74-51-43-70(44-52-74)84(59-23-6-24-60-84)66-31-11-2-12-32-66)81-77-37-17-19-39-79(77)82(80-40-20-18-38-78(80)81)88(75-53-45-71(46-54-75)85(61-25-7-26-62-85)67-33-13-3-14-34-67)76-55-47-72(48-56-76)86(63-27-8-28-64-86)68-35-15-4-16-36-68/h1-4,9-20,29-56H,5-8,21-28,57-64H2
InChIKeyYBCBSUQRDJIWRR-UHFFFAOYSA-N
XLogP23.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.63
LogP ≤ 523.93
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'}

Analyze 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine with MolForge

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Related Compounds

1,1-diphenylcyclotetradecane
CID 175822005
4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 87837292
2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
CID 166506077
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255268
N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
CID 174254843
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 156728878
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
N-phenyl-4-(9-phenylcarbazol-2-yl)-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163606213
9-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 163478343
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine (CID 20665535) is 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine is c1ccc(C2(c3ccc(N(c4ccc(C5(c6ccccc6)CCCCC5)cc4)c4c5ccccc5c(N(c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5ccccc45)cc3)CCCCC2)cc1.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine?
The InChIKey is YBCBSUQRDJIWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H84N2/c1-9-29-65(30-10-1)83(57-21-5-22-58-83)69-41-49-73(50-42-69)87(74-51-43-70(44-52-74)84(59-23-6-24-60-84)66-31-11-2-12-32-66)81-77-37-17-19-39-79(77)82(80-40-20-18-38-78(80)81)88(75-53-45-71(46-54-75)85(61-25-7-26-62-85)67-33-13-3-14-34-67)76-55-47-72(48-56-76)86(63-27-8-28-64-86)68-35-15-4-16-36-68/h1-4,9-20,29-56H,5-8,21-28,57-64H2.
What are the key properties of 9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine?
9-N,9-N,10-N,10-N-tetrakis[4-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine has a molecular weight of 1145.63 g/mol, XLogP of 23.93, 14 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-(1-phenylcyclohexyl)phenyl]anthracene-9,10-diamine is sourced from PubChem (CID 20665535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).