2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine

C42H29N3O — CID 174116735

IUPAC2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC=C1C=Cc2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)ccc2C/C=C\C=C/1
InChIInChI=1S/C42H29N3O/c1-28-12-5-2-6-15-30-22-23-34(26-32(30)21-20-28)41-43-40(31-16-9-4-10-17-31)44-42(45-41)35-18-11-19-38-39(35)36-27-33(24-25-37(36)46-38)29-13-7-3-8-14-29/h2-14,16-27H,1,15H2/b6-2-,12-5-,21-20?
InChIKeyHIVQNKOEUVVCAT-ZRBWJISKSA-N
MW591.71 g/mol
LogP10.68
Rot. Bonds4

About 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 174116735) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID174116735
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC=C1C=Cc2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)ccc2C/C=C\C=C/1
InChIInChI=1S/C42H29N3O/c1-28-12-5-2-6-15-30-22-23-34(26-32(30)21-20-28)41-43-40(31-16-9-4-10-17-31)44-42(45-41)35-18-11-19-38-39(35)36-27-33(24-25-37(36)46-38)29-13-7-3-8-14-29/h2-14,16-27H,1,15H2/b6-2-,12-5-,21-20?
InChIKeyHIVQNKOEUVVCAT-ZRBWJISKSA-N
XLogP10.68
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2-[8-(4-methylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134199083
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-[8-(4-chlorophenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142427415

Frequently Asked Questions

What is the IUPAC name of 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 174116735) is 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine is C=C1C=Cc2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)n3)ccc2C/C=C\C=C/1.
What is the InChIKey of 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is HIVQNKOEUVVCAT-ZRBWJISKSA-N. The full InChI is InChI=1S/C42H29N3O/c1-28-12-5-2-6-15-30-22-23-34(26-32(30)21-20-28)41-43-40(31-16-9-4-10-17-31)44-42(45-41)35-18-11-19-38-39(35)36-27-33(24-25-37(36)46-38)29-13-7-3-8-14-29/h2-14,16-27H,1,15H2/b6-2-,12-5-,21-20?.
What are the key properties of 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 591.71 g/mol, XLogP of 10.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 174116735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).