(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole

C22H21N3O — CID 56945480

IUPAC(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole
SMILESCOc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1cc2c([nH]1)CCCC2
InChIInChI=1S/C22H21N3O/c1-26-22-13-20(19-11-15-7-3-5-9-18(15)24-19)25-21(22)12-16-10-14-6-2-4-8-17(14)23-16/h3,5,7,9-13,23,25H,2,4,6,8H2,1H3/b20-19-,21-12-
InChIKeyLELFZTGLZILNCR-UFGMQVAMSA-N
MW343.43 g/mol
LogP1.28
Rot. Bonds2

About (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole

(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole (PubChem CID 56945480) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole
PubChem CID56945480
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole
SMILESCOc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1cc2c([nH]1)CCCC2
InChIInChI=1S/C22H21N3O/c1-26-22-13-20(19-11-15-7-3-5-9-18(15)24-19)25-21(22)12-16-10-14-6-2-4-8-17(14)23-16/h3,5,7,9-13,23,25H,2,4,6,8H2,1H3/b20-19-,21-12-
InChIKeyLELFZTGLZILNCR-UFGMQVAMSA-N
XLogP1.28
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole?
The IUPAC name of (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole (CID 56945480) is (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole.
What is the SMILES notation for (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole?
The canonical SMILES for (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole is COc1c/c(=C2\C=c3ccccc3=N2)[nH]/c1=C\c1cc2c([nH]1)CCCC2.
What is the InChIKey of (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole?
The InChIKey is LELFZTGLZILNCR-UFGMQVAMSA-N. The full InChI is InChI=1S/C22H21N3O/c1-26-22-13-20(19-11-15-7-3-5-9-18(15)24-19)25-21(22)12-16-10-14-6-2-4-8-17(14)23-16/h3,5,7,9-13,23,25H,2,4,6,8H2,1H3/b20-19-,21-12-.
What are the key properties of (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole?
(2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole has a molecular weight of 343.43 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-4-methoxy-5-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)pyrrol-2-ylidene]indole is sourced from PubChem (CID 56945480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).