3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole

C43H33N3 — CID 52948267

IUPAC3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(C(c3c(-c4ccccc4)[nH]c4ccccc34)c3c(-c4ccccc4)[nH]c4ccccc34)ccc21
InChIInChI=1S/C43H33N3/c1-2-46-37-24-14-11-19-31(37)34-27-30(25-26-38(34)46)39(40-32-20-9-12-22-35(32)44-42(40)28-15-5-3-6-16-28)41-33-21-10-13-23-36(33)45-43(41)29-17-7-4-8-18-29/h3-27,39,44-45H,2H2,1H3
InChIKeyLZCYPEQYRLDOAY-UHFFFAOYSA-N
MW591.76 g/mol
LogP11.29
Rot. Bonds6

About 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole

3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole (PubChem CID 52948267) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole.

Molecular Properties

Compound Name3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole
PubChem CID52948267
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC Name3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(C(c3c(-c4ccccc4)[nH]c4ccccc34)c3c(-c4ccccc4)[nH]c4ccccc34)ccc21
InChIInChI=1S/C43H33N3/c1-2-46-37-24-14-11-19-31(37)34-27-30(25-26-38(34)46)39(40-32-20-9-12-22-35(32)44-42(40)28-15-5-3-6-16-28)41-33-21-10-13-23-36(33)45-43(41)29-17-7-4-8-18-29/h3-27,39,44-45H,2H2,1H3
InChIKeyLZCYPEQYRLDOAY-UHFFFAOYSA-N
XLogP11.29
TPSA36.51 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 511.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole?
The IUPAC name of 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole (CID 52948267) is 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole.
What is the SMILES notation for 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole?
The canonical SMILES for 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole is CCn1c2ccccc2c2cc(C(c3c(-c4ccccc4)[nH]c4ccccc34)c3c(-c4ccccc4)[nH]c4ccccc34)ccc21.
What is the InChIKey of 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole?
The InChIKey is LZCYPEQYRLDOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3/c1-2-46-37-24-14-11-19-31(37)34-27-30(25-26-38(34)46)39(40-32-20-9-12-22-35(32)44-42(40)28-15-5-3-6-16-28)41-33-21-10-13-23-36(33)45-43(41)29-17-7-4-8-18-29/h3-27,39,44-45H,2H2,1H3.
What are the key properties of 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole?
3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole has a molecular weight of 591.76 g/mol, XLogP of 11.29, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-phenyl-1H-indol-3-yl)methyl]-9-ethylcarbazole is sourced from PubChem (CID 52948267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).