1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine

C52H50N4O2 — CID 139409486

IUPAC1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOc1c(CCN(C)c2ccccc2N(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OC)cc(C)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H50N4O2/c1-35-31-37(51(57-5)49(33-35)55-43-21-11-7-17-39(43)40-18-8-12-22-44(40)55)27-29-53(3)47-25-15-16-26-48(47)54(4)30-28-38-32-36(2)34-50(52(38)58-6)56-45-23-13-9-19-41(45)42-20-10-14-24-46(42)56/h7-26,31-34H,27-30H2,1-6H3
InChIKeyNONDTLPMVQJZDK-UHFFFAOYSA-N
MW763.00 g/mol
LogP11.87
Rot. Bonds12

About 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine

1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 139409486) has the molecular formula C52H50N4O2 and a molecular weight of 763.00 g/mol. Its IUPAC name is 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID139409486
Molecular FormulaC52H50N4O2
Molecular Weight763.00 g/mol
Exact Mass762.39
IUPAC Name1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOc1c(CCN(C)c2ccccc2N(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OC)cc(C)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C52H50N4O2/c1-35-31-37(51(57-5)49(33-35)55-43-21-11-7-17-39(43)40-18-8-12-22-44(40)55)27-29-53(3)47-25-15-16-26-48(47)54(4)30-28-38-32-36(2)34-50(52(38)58-6)56-45-23-13-9-19-41(45)42-20-10-14-24-46(42)56/h7-26,31-34H,27-30H2,1-6H3
InChIKeyNONDTLPMVQJZDK-UHFFFAOYSA-N
XLogP11.87
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-methylamino]ethyl-methylamino]ethyl]-4,6-dimethylphenol
CID 158334338
2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol
CID 160943850
2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol;dichlorotitanium
CID 156674641
2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(diethylamino)ethyl]amino]methyl]-4-methylphenol
CID 156674673
2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride
CID 159346905
2-carbazol-9-yl-6-[2-[2-(dimethylamino)ethyl-[(2-hydroxy-5-methyl-3-phenylphenyl)methyl]amino]ethyl]-4-methylphenol
CID 149123304
2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol
CID 153470113
2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-(dimethylamino)butoxy]-5-methylphenyl]-4-methylphenol
CID 134225902
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
2-[2-[2-[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-methylamino]ethyl-methylamino]ethyl]-6-[2,6-di(propan-2-yl)phenyl]-4-methylphenol
CID 146437162
bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenol);hafnium;methane;methanidylbenzene;zirconium(3+);zirconium(4+)
CID 162271636
bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-[2-(dimethylamino)ethyl]amino]ethyl]-4-methylphenol);bis(2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-(pyridin-2-ylmethyl)amino]ethyl]-4-methylphenol);hafnium;methanidylbenzene;zirconium;zirconium(2+)
CID 161147895

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine (CID 139409486) is 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine is COc1c(CCN(C)c2ccccc2N(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OC)cc(C)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is NONDTLPMVQJZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N4O2/c1-35-31-37(51(57-5)49(33-35)55-43-21-11-7-17-39(43)40-18-8-12-22-44(40)55)27-29-53(3)47-25-15-16-26-48(47)54(4)30-28-38-32-36(2)34-50(52(38)58-6)56-45-23-13-9-19-41(45)42-20-10-14-24-46(42)56/h7-26,31-34H,27-30H2,1-6H3.
What are the key properties of 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine?
1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 763.00 g/mol, XLogP of 11.87, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[2-(3-carbazol-9-yl-2-methoxy-5-methylphenyl)ethyl]-1-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 139409486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).