9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole

C42H52N2 — CID 170176865

IUPAC9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole
SMILESCCn1c2c(C)c(C)c(C)c(C)c2c2c(C)c(-c3c(C)c(C)c4c(c3C)c3c(C)c(C)c(C)c(C)c3n4CC)c(C)c(C)c21
InChIInChI=1S/C42H52N2/c1-17-43-39-27(11)21(5)19(3)23(7)35(39)37-31(15)33(25(9)29(13)41(37)43)34-26(10)30(14)42-38(32(34)16)36-24(8)20(4)22(6)28(12)40(36)44(42)18-2/h17-18H2,1-16H3
InChIKeyDKDRZRXZWIYMGX-UHFFFAOYSA-N
MW584.89 g/mol
LogP11.93
Rot. Bonds3

About 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole

9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole (PubChem CID 170176865) has the molecular formula C42H52N2 and a molecular weight of 584.89 g/mol. Its IUPAC name is 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole.

Molecular Properties

Compound Name9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole
PubChem CID170176865
Molecular FormulaC42H52N2
Molecular Weight584.89 g/mol
Exact Mass584.41
IUPAC Name9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole
SMILESCCn1c2c(C)c(C)c(C)c(C)c2c2c(C)c(-c3c(C)c(C)c4c(c3C)c3c(C)c(C)c(C)c(C)c3n4CC)c(C)c(C)c21
InChIInChI=1S/C42H52N2/c1-17-43-39-27(11)21(5)19(3)23(7)35(39)37-31(15)33(25(9)29(13)41(37)43)34-26(10)30(14)42-38(32(34)16)36-24(8)20(4)22(6)28(12)40(36)44(42)18-2/h17-18H2,1-16H3
InChIKeyDKDRZRXZWIYMGX-UHFFFAOYSA-N
XLogP11.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.89
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole?
The IUPAC name of 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole (CID 170176865) is 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole.
What is the SMILES notation for 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole?
The canonical SMILES for 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole is CCn1c2c(C)c(C)c(C)c(C)c2c2c(C)c(-c3c(C)c(C)c4c(c3C)c3c(C)c(C)c(C)c(C)c3n4CC)c(C)c(C)c21.
What is the InChIKey of 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole?
The InChIKey is DKDRZRXZWIYMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N2/c1-17-43-39-27(11)21(5)19(3)23(7)35(39)37-31(15)33(25(9)29(13)41(37)43)34-26(10)30(14)42-38(32(34)16)36-24(8)20(4)22(6)28(12)40(36)44(42)18-2/h17-18H2,1-16H3.
What are the key properties of 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole?
9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole has a molecular weight of 584.89 g/mol, XLogP of 11.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(9-ethyl-1,2,4,5,6,7,8-heptamethylcarbazol-3-yl)-1,2,4,5,6,7,8-heptamethylcarbazole is sourced from PubChem (CID 170176865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).