3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole

C41H28N6 — CID 135490504

IUPAC3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)/C(=C/c2[nH]c(-c3c[nH]c4ccccc34)cc2-c2c[nH]c3ccccc23)N=C1c1c[nH]c2ccccc12
InChIInChI=1S/C41H28N6/c1-5-13-34-24(9-1)30(20-42-34)28-17-38(32-22-44-36-15-7-3-11-26(32)36)46-40(28)19-41-29(31-21-43-35-14-6-2-10-25(31)35)18-39(47-41)33-23-45-37-16-8-4-12-27(33)37/h1-23,42-46H/b41-19-
InChIKeyCQEBBPROXFKFIE-AQAGRAQRSA-N
MW604.72 g/mol
LogP10.20
Rot. Bonds5

About 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole

3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole (PubChem CID 135490504) has the molecular formula C41H28N6 and a molecular weight of 604.72 g/mol. Its IUPAC name is 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
PubChem CID135490504
Molecular FormulaC41H28N6
Molecular Weight604.72 g/mol
Exact Mass604.24
IUPAC Name3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)/C(=C/c2[nH]c(-c3c[nH]c4ccccc34)cc2-c2c[nH]c3ccccc23)N=C1c1c[nH]c2ccccc12
InChIInChI=1S/C41H28N6/c1-5-13-34-24(9-1)30(20-42-34)28-17-38(32-22-44-36-15-7-3-11-26(32)36)46-40(28)19-41-29(31-21-43-35-14-6-2-10-25(31)35)18-39(47-41)33-23-45-37-16-8-4-12-27(33)37/h1-23,42-46H/b41-19-
InChIKeyCQEBBPROXFKFIE-AQAGRAQRSA-N
XLogP10.20
TPSA91.31 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.72
LogP ≤ 510.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 563075
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CID 233952

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The IUPAC name of 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole (CID 135490504) is 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole.
What is the SMILES notation for 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The canonical SMILES for 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole is C1=C(c2c[nH]c3ccccc23)/C(=C/c2[nH]c(-c3c[nH]c4ccccc34)cc2-c2c[nH]c3ccccc23)N=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The InChIKey is CQEBBPROXFKFIE-AQAGRAQRSA-N. The full InChI is InChI=1S/C41H28N6/c1-5-13-34-24(9-1)30(20-42-34)28-17-38(32-22-44-36-15-7-3-11-26(32)36)46-40(28)19-41-29(31-21-43-35-14-6-2-10-25(31)35)18-39(47-41)33-23-45-37-16-8-4-12-27(33)37/h1-23,42-46H/b41-19-.
What are the key properties of 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole has a molecular weight of 604.72 g/mol, XLogP of 10.20, 5 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(Z)-[3,5-bis(1H-indol-3-yl)pyrrol-2-ylidene]methyl]-5-(1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole is sourced from PubChem (CID 135490504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).