4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine

C62H66N2 — CID 138572784

IUPAC4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc(C3CCCCC3)c3c2ccc2c3ccc3c(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc(C4CCCCC4)c32)c1
InChIInChI=1S/C62H66N2/c1-39-27-40(2)32-49(31-39)63(50-33-41(3)28-42(4)34-50)59-25-23-53(47-15-11-9-12-16-47)61-55-20-22-58-60(26-24-54(48-17-13-10-14-18-48)62(58)56(55)19-21-57(59)61)64(51-35-43(5)29-44(6)36-51)52-37-45(7)30-46(8)38-52/h19-38,47-48H,9-18H2,1-8H3
InChIKeyIPIJTCIICBYDNC-UHFFFAOYSA-N
MW839.22 g/mol
LogP18.65
Rot. Bonds8

About 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine

4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine (PubChem CID 138572784) has the molecular formula C62H66N2 and a molecular weight of 839.22 g/mol. Its IUPAC name is 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine.

Molecular Properties

Compound Name4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine
PubChem CID138572784
Molecular FormulaC62H66N2
Molecular Weight839.22 g/mol
Exact Mass838.52
IUPAC Name4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc(C3CCCCC3)c3c2ccc2c3ccc3c(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc(C4CCCCC4)c32)c1
InChIInChI=1S/C62H66N2/c1-39-27-40(2)32-49(31-39)63(50-33-41(3)28-42(4)34-50)59-25-23-53(47-15-11-9-12-16-47)61-55-20-22-58-60(26-24-54(48-17-13-10-14-18-48)62(58)56(55)19-21-57(59)61)64(51-35-43(5)29-44(6)36-51)52-37-45(7)30-46(8)38-52/h19-38,47-48H,9-18H2,1-8H3
InChIKeyIPIJTCIICBYDNC-UHFFFAOYSA-N
XLogP18.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.22
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine with MolForge

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Related Compounds

7-cyclohexyl-6-methyl-1-N,1-N,3-N,3-N-tetraphenylpyrene-1,3-diamine
CID 123268850
1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine
CID 157477279
3,8-dicyclohexyl-1-N,6-N-bis(4-methylphenyl)-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 143848119
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
3,8-dicyclohexyl-1-N,1-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383868
N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine
CID 158759545
7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine
CID 138572778
N-[4-[3,8-dicyclohexyl-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]pyren-1-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 88914025
3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
1-N,6-N-bis[3,5-bis(3-fluorophenyl)phenyl]-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine
CID 58322393
3,8-dicyclohexyl-1-N,1-N-diphenylpyrene-1,6-diamine
CID 155109066

Frequently Asked Questions

What is the IUPAC name of 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine?
The IUPAC name of 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine (CID 138572784) is 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine.
What is the SMILES notation for 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine?
The canonical SMILES for 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc(C3CCCCC3)c3c2ccc2c3ccc3c(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc(C4CCCCC4)c32)c1.
What is the InChIKey of 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine?
The InChIKey is IPIJTCIICBYDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H66N2/c1-39-27-40(2)32-49(31-39)63(50-33-41(3)28-42(4)34-50)59-25-23-53(47-15-11-9-12-16-47)61-55-20-22-58-60(26-24-54(48-17-13-10-14-18-48)62(58)56(55)19-21-57(59)61)64(51-35-43(5)29-44(6)36-51)52-37-45(7)30-46(8)38-52/h19-38,47-48H,9-18H2,1-8H3.
What are the key properties of 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine?
4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine has a molecular weight of 839.22 g/mol, XLogP of 18.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dicyclohexyl-1-N,1-N,7-N,7-N-tetrakis(3,5-dimethylphenyl)chrysene-1,7-diamine is sourced from PubChem (CID 138572784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).