[4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine

C32H21N3O — CID 121307442

IUPAC[4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine
SMILES[H]/N=C\c1ccc(/C=N/[H])cc1-n1c2ccc(-c3ccccc3)cc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C32H21N3O/c33-18-20-10-11-23(19-34)29(16-20)35-27-14-12-22(21-6-2-1-3-7-21)17-26(27)31-28(35)15-13-25-24-8-4-5-9-30(24)36-32(25)31/h1-19,33-34H/b33-18+,34-19-
InChIKeyCNDQGWQNCLWDKA-PKUOHODXSA-N
MW463.54 g/mol
LogP8.35
Rot. Bonds4

About [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine

[4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine (PubChem CID 121307442) has the molecular formula C32H21N3O and a molecular weight of 463.54 g/mol. Its IUPAC name is [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine.

Molecular Properties

Compound Name[4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine
PubChem CID121307442
Molecular FormulaC32H21N3O
Molecular Weight463.54 g/mol
Exact Mass463.17
IUPAC Name[4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine
SMILES[H]/N=C\c1ccc(/C=N/[H])cc1-n1c2ccc(-c3ccccc3)cc2c2c3oc4ccccc4c3ccc21
InChIInChI=1S/C32H21N3O/c33-18-20-10-11-23(19-34)29(16-20)35-27-14-12-22(21-6-2-1-3-7-21)17-26(27)31-28(35)15-13-25-24-8-4-5-9-30(24)36-32(25)31/h1-19,33-34H/b33-18+,34-19-
InChIKeyCNDQGWQNCLWDKA-PKUOHODXSA-N
XLogP8.35
TPSA65.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 58.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
2-phenyl-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164965431
[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine
CID 121307130
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane
CID 163560913
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109

Frequently Asked Questions

What is the IUPAC name of [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine?
The IUPAC name of [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine (CID 121307442) is [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine.
What is the SMILES notation for [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine?
The canonical SMILES for [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine is [H]/N=C\c1ccc(/C=N/[H])cc1-n1c2ccc(-c3ccccc3)cc2c2c3oc4ccccc4c3ccc21.
What is the InChIKey of [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine?
The InChIKey is CNDQGWQNCLWDKA-PKUOHODXSA-N. The full InChI is InChI=1S/C32H21N3O/c33-18-20-10-11-23(19-34)29(16-20)35-27-14-12-22(21-6-2-1-3-7-21)17-26(27)31-28(35)15-13-25-24-8-4-5-9-30(24)36-32(25)31/h1-19,33-34H/b33-18+,34-19-.
What are the key properties of [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine?
[4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine has a molecular weight of 463.54 g/mol, XLogP of 8.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine is sourced from PubChem (CID 121307442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).