(2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one

C30H19NO2 — CID 155000905

IUPAC(2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one
SMILESO=C1/C(=C\c2cc3c4ccccc4n(-c4ccccc4)c3o2)Cc2cc3ccccc3cc21
InChIInChI=1S/C30H19NO2/c32-29-22(15-21-14-19-8-4-5-9-20(19)17-26(21)29)16-24-18-27-25-12-6-7-13-28(25)31(30(27)33-24)23-10-2-1-3-11-23/h1-14,16-18H,15H2/b22-16-
InChIKeyKBSAFIIPYCSZCT-JWGURIENSA-N
MW425.49 g/mol
LogP7.35
Rot. Bonds2

About (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one

(2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one (PubChem CID 155000905) has the molecular formula C30H19NO2 and a molecular weight of 425.49 g/mol. Its IUPAC name is (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one
PubChem CID155000905
Molecular FormulaC30H19NO2
Molecular Weight425.49 g/mol
Exact Mass425.14
IUPAC Name(2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one
SMILESO=C1/C(=C\c2cc3c4ccccc4n(-c4ccccc4)c3o2)Cc2cc3ccccc3cc21
InChIInChI=1S/C30H19NO2/c32-29-22(15-21-14-19-8-4-5-9-20(19)17-26(21)29)16-24-18-27-25-12-6-7-13-28(25)31(30(27)33-24)23-10-2-1-3-11-23/h1-14,16-18H,15H2/b22-16-
InChIKeyKBSAFIIPYCSZCT-JWGURIENSA-N
XLogP7.35
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[[5-(1-benzothiophen-2-yl)-1-phenylthieno[2,3-d]imidazol-2-yl]methylidene]-1H-cyclopenta[b]naphthalen-3-one
CID 170174838
(2Z)-2-[[2-(1-benzothiophen-2-yl)-4-phenylimidazo[4,5-d][1,3]oxazol-5-yl]methylidene]-1H-cyclopenta[b]naphthalen-3-one
CID 170174558
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 126753402
4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 70659036
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
3-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-9-phenylcarbazole
CID 59282542
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one?
The IUPAC name of (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one (CID 155000905) is (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one.
What is the SMILES notation for (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one?
The canonical SMILES for (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one is O=C1/C(=C\c2cc3c4ccccc4n(-c4ccccc4)c3o2)Cc2cc3ccccc3cc21.
What is the InChIKey of (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one?
The InChIKey is KBSAFIIPYCSZCT-JWGURIENSA-N. The full InChI is InChI=1S/C30H19NO2/c32-29-22(15-21-14-19-8-4-5-9-20(19)17-26(21)29)16-24-18-27-25-12-6-7-13-28(25)31(30(27)33-24)23-10-2-1-3-11-23/h1-14,16-18H,15H2/b22-16-.
What are the key properties of (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one?
(2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one has a molecular weight of 425.49 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-phenylfuro[2,3-b]indol-2-yl)methylidene]-1H-cyclopenta[b]naphthalen-3-one is sourced from PubChem (CID 155000905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).