1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole

C33H34N2 — CID 69331380

IUPAC1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole
SMILESCC1=C(C)C(C)=C2C1=Nc1cc(C)c(C(C)(C)c3cc4c(cc3C)N=C3C(C)=C(C)C(C)=C34)cc12
InChIInChI=1S/C33H34N2/c1-15-11-27-23(29-19(5)17(3)21(7)31(29)34-27)13-25(15)33(9,10)26-14-24-28(12-16(26)2)35-32-22(8)18(4)20(6)30(24)32/h11-14H,1-10H3
InChIKeyJCFNLYWUOUULGQ-UHFFFAOYSA-N
MW458.65 g/mol
LogP9.05
Rot. Bonds2

About 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole

1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole (PubChem CID 69331380) has the molecular formula C33H34N2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole.

Molecular Properties

Compound Name1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole
PubChem CID69331380
Molecular FormulaC33H34N2
Molecular Weight458.65 g/mol
Exact Mass458.27
IUPAC Name1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole
SMILESCC1=C(C)C(C)=C2C1=Nc1cc(C)c(C(C)(C)c3cc4c(cc3C)N=C3C(C)=C(C)C(C)=C34)cc12
InChIInChI=1S/C33H34N2/c1-15-11-27-23(29-19(5)17(3)21(7)31(29)34-27)13-25(15)33(9,10)26-14-24-28(12-16(26)2)35-32-22(8)18(4)20(6)30(24)32/h11-14H,1-10H3
InChIKeyJCFNLYWUOUULGQ-UHFFFAOYSA-N
XLogP9.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole?
The IUPAC name of 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole (CID 69331380) is 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole.
What is the SMILES notation for 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole?
The canonical SMILES for 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole is CC1=C(C)C(C)=C2C1=Nc1cc(C)c(C(C)(C)c3cc4c(cc3C)N=C3C(C)=C(C)C(C)=C34)cc12.
What is the InChIKey of 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole?
The InChIKey is JCFNLYWUOUULGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2/c1-15-11-27-23(29-19(5)17(3)21(7)31(29)34-27)13-25(15)33(9,10)26-14-24-28(12-16(26)2)35-32-22(8)18(4)20(6)30(24)32/h11-14H,1-10H3.
What are the key properties of 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole?
1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole has a molecular weight of 458.65 g/mol, XLogP of 9.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole is sourced from PubChem (CID 69331380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).