(3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole

C41H28N6 — CID 10507863

IUPAC(3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole
SMILESC1=Nc2ccccc2/C1=c1\cc(-c2c[nH]c3ccccc23)/c(=C/c2[nH]c(-c3c[nH]c4ccccc34)cc2-c2c[nH]c3ccccc23)[nH]1
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/h1-23,42-44,46-47H/b39-33+,41-19-
InChIKeySOTFNXVLKLYDPV-BSPGOBSISA-N
MW604.72 g/mol
LogP8.53
Rot. Bonds4

About (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole

(3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole (PubChem CID 10507863) has the molecular formula C41H28N6 and a molecular weight of 604.72 g/mol. Its IUPAC name is (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole.

Molecular Properties

Compound Name(3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole
PubChem CID10507863
Molecular FormulaC41H28N6
Molecular Weight604.72 g/mol
Exact Mass604.24
IUPAC Name(3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole
SMILESC1=Nc2ccccc2/C1=c1\cc(-c2c[nH]c3ccccc23)/c(=C/c2[nH]c(-c3c[nH]c4ccccc34)cc2-c2c[nH]c3ccccc23)[nH]1
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/h1-23,42-44,46-47H/b39-33+,41-19-
InChIKeySOTFNXVLKLYDPV-BSPGOBSISA-N
XLogP8.53
TPSA91.31 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.72
LogP ≤ 58.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

Analyze (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 87286726
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate
CID 136630936
[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
CID 136691197
5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine
CID 136995821
2-(1H-indol-3-yl)thiochromen-4-one
CID 54116167
2-(1H-indol-3-yl)aniline
CID 25210227
4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione
CID 116879571
5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
CID 82482232
3-pyridin-4-yl-1H-indole
CID 159430533
2-(1H-indol-3-yl)-3H-indole
CID 163416742
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole?
The IUPAC name of (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole (CID 10507863) is (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole.
What is the SMILES notation for (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole?
The canonical SMILES for (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole is C1=Nc2ccccc2/C1=c1\cc(-c2c[nH]c3ccccc23)/c(=C/c2[nH]c(-c3c[nH]c4ccccc34)cc2-c2c[nH]c3ccccc23)[nH]1.
What is the InChIKey of (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole?
The InChIKey is SOTFNXVLKLYDPV-BSPGOBSISA-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/h1-23,42-44,46-47H/b39-33+,41-19-.
What are the key properties of (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole?
(3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole has a molecular weight of 604.72 g/mol, XLogP of 8.53, 4 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5Z)-5-[[3,5-bis(1H-indol-3-yl)-1H-pyrrol-2-yl]methylidene]-4-(1H-indol-3-yl)pyrrol-2-ylidene]indole is sourced from PubChem (CID 10507863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).