2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole

C24H18N2 — CID 142743500

IUPAC2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole
SMILESC1=C\C=C/C(c2cc3ccccc3[nH]2)=C(c2cc3ccccc3[nH]2)\C=C/1
InChIInChI=1S/C24H18N2/c1-2-4-12-20(24-16-18-10-6-8-14-22(18)26-24)19(11-3-1)23-15-17-9-5-7-13-21(17)25-23/h1-16,25-26H/b2-1-,3-1-,4-2-,11-3-,12-4-,19-11+,20-12+,20-19-
InChIKeyAJCMRNMBFICYKS-UWMIONBASA-N
MW334.42 g/mol
LogP6.24
Rot. Bonds2

About 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole

2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole (PubChem CID 142743500) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole.

Molecular Properties

Compound Name2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole
PubChem CID142743500
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole
SMILESC1=C\C=C/C(c2cc3ccccc3[nH]2)=C(c2cc3ccccc3[nH]2)\C=C/1
InChIInChI=1S/C24H18N2/c1-2-4-12-20(24-16-18-10-6-8-14-22(18)26-24)19(11-3-1)23-15-17-9-5-7-13-21(17)25-23/h1-16,25-26H/b2-1-,3-1-,4-2-,11-3-,12-4-,19-11+,20-12+,20-19-
InChIKeyAJCMRNMBFICYKS-UWMIONBASA-N
XLogP6.24
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole?
The IUPAC name of 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole (CID 142743500) is 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole.
What is the SMILES notation for 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole?
The canonical SMILES for 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole is C1=C\C=C/C(c2cc3ccccc3[nH]2)=C(c2cc3ccccc3[nH]2)\C=C/1.
What is the InChIKey of 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole?
The InChIKey is AJCMRNMBFICYKS-UWMIONBASA-N. The full InChI is InChI=1S/C24H18N2/c1-2-4-12-20(24-16-18-10-6-8-14-22(18)26-24)19(11-3-1)23-15-17-9-5-7-13-21(17)25-23/h1-16,25-26H/b2-1-,3-1-,4-2-,11-3-,12-4-,19-11+,20-12+,20-19-.
What are the key properties of 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole?
2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole has a molecular weight of 334.42 g/mol, XLogP of 6.24, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole is sourced from PubChem (CID 142743500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).