2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine

C45H35N3O — CID 170144464

IUPAC2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine
SMILESC=C/C=C\C=C/CC(/C=C\Cc1nc(-c2ccc3ccccc3c2)nc(-c2cccc3oc4c(-c5ccccc5)cccc4c23)n1)=C/C=C
InChIInChI=1S/C45H35N3O/c1-3-5-6-7-9-18-32(17-4-2)19-14-28-41-46-44(36-30-29-33-20-12-13-23-35(33)31-36)48-45(47-41)39-26-16-27-40-42(39)38-25-15-24-37(43(38)49-40)34-21-10-8-11-22-34/h3-17,19-27,29-31H,1-2,18,28H2/b6-5-,9-7-,19-14-,32-17-
InChIKeyCNURRTLFRCTIEE-SIIMHVEDSA-N
MW633.80 g/mol
LogP11.82
Rot. Bonds11

About 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine

2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine (PubChem CID 170144464) has the molecular formula C45H35N3O and a molecular weight of 633.80 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine
PubChem CID170144464
Molecular FormulaC45H35N3O
Molecular Weight633.80 g/mol
Exact Mass633.28
IUPAC Name2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine
SMILESC=C/C=C\C=C/CC(/C=C\Cc1nc(-c2ccc3ccccc3c2)nc(-c2cccc3oc4c(-c5ccccc5)cccc4c23)n1)=C/C=C
InChIInChI=1S/C45H35N3O/c1-3-5-6-7-9-18-32(17-4-2)19-14-28-41-46-44(36-30-29-33-20-12-13-23-35(33)31-36)48-45(47-41)39-26-16-27-40-42(39)38-25-15-24-37(43(38)49-40)34-21-10-8-11-22-34/h3-17,19-27,29-31H,1-2,18,28H2/b6-5-,9-7-,19-14-,32-17-
InChIKeyCNURRTLFRCTIEE-SIIMHVEDSA-N
XLogP11.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.80
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741408
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743611
2-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-[6-(6-methylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170133792
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214033
2-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]phenyl]-4-(6-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170220733
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine (CID 170144464) is 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine is C=C/C=C\C=C/CC(/C=C\Cc1nc(-c2ccc3ccccc3c2)nc(-c2cccc3oc4c(-c5ccccc5)cccc4c23)n1)=C/C=C.
What is the InChIKey of 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine?
The InChIKey is CNURRTLFRCTIEE-SIIMHVEDSA-N. The full InChI is InChI=1S/C45H35N3O/c1-3-5-6-7-9-18-32(17-4-2)19-14-28-41-46-44(36-30-29-33-20-12-13-23-35(33)31-36)48-45(47-41)39-26-16-27-40-42(39)38-25-15-24-37(43(38)49-40)34-21-10-8-11-22-34/h3-17,19-27,29-31H,1-2,18,28H2/b6-5-,9-7-,19-14-,32-17-.
What are the key properties of 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine?
2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine has a molecular weight of 633.80 g/mol, XLogP of 11.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(6-phenyldibenzofuran-1-yl)-6-[(2Z,4Z,6Z,8Z)-4-prop-2-enylideneundeca-2,6,8,10-tetraenyl]-1,3,5-triazine is sourced from PubChem (CID 170144464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).