1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole

C41H50N2 — CID 129087204

IUPAC1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole
SMILESCc1c(C)c(C)c2c(c1C)c1c(C)c(Cc3c(C)c(C)c4c5c(C)c(C)c(C)c(C)c5n(C)c4c3C)c(C)c(C)c1n2C
InChIInChI=1S/C41H50N2/c1-18-20(3)27(10)38-34(24(18)7)36-26(9)22(5)33(31(14)41(36)43(38)16)17-32-23(6)29(12)40-37(30(32)13)35-25(8)19(2)21(4)28(11)39(35)42(40)15/h17H2,1-16H3
InChIKeyJIVICPHRYGXQQW-UHFFFAOYSA-N
MW570.87 g/mol
LogP10.89
Rot. Bonds2

About 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole

1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole (PubChem CID 129087204) has the molecular formula C41H50N2 and a molecular weight of 570.87 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole
PubChem CID129087204
Molecular FormulaC41H50N2
Molecular Weight570.87 g/mol
Exact Mass570.40
IUPAC Name1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole
SMILESCc1c(C)c(C)c2c(c1C)c1c(C)c(Cc3c(C)c(C)c4c5c(C)c(C)c(C)c(C)c5n(C)c4c3C)c(C)c(C)c1n2C
InChIInChI=1S/C41H50N2/c1-18-20(3)27(10)38-34(24(18)7)36-26(9)22(5)33(31(14)41(36)43(38)16)17-32-23(6)29(12)40-37(30(32)13)35-25(8)19(2)21(4)28(11)39(35)42(40)15/h17H2,1-16H3
InChIKeyJIVICPHRYGXQQW-UHFFFAOYSA-N
XLogP10.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.87
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole (CID 129087204) is 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole is Cc1c(C)c(C)c2c(c1C)c1c(C)c(Cc3c(C)c(C)c4c5c(C)c(C)c(C)c(C)c5n(C)c4c3C)c(C)c(C)c1n2C.
What is the InChIKey of 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole?
The InChIKey is JIVICPHRYGXQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50N2/c1-18-20(3)27(10)38-34(24(18)7)36-26(9)22(5)33(31(14)41(36)43(38)16)17-32-23(6)29(12)40-37(30(32)13)35-25(8)19(2)21(4)28(11)39(35)42(40)15/h17H2,1-16H3.
What are the key properties of 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole?
1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole has a molecular weight of 570.87 g/mol, XLogP of 10.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole is sourced from PubChem (CID 129087204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).