2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C62H47N3 — CID 170411701

IUPAC2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=CCCC(c2cc3ccccc3c3c2-c2ccc(-c4cccc(C5=CCC(C6=NC(c7ccccc7)N=C(c7ccccc7)N6)C=C5)c4)cc2C3(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C62H47N3/c1-6-19-43(20-7-1)55-40-50-25-16-17-32-53(50)58-57(55)54-38-37-49(41-56(54)62(58,51-28-12-4-13-29-51)52-30-14-5-15-31-52)48-27-18-26-47(39-48)42-33-35-46(36-34-42)61-64-59(44-21-8-2-9-22-44)63-60(65-61)45-23-10-3-11-24-45/h1-6,8-19,21-35,37-41,46,59H,7,20,36H2,(H,63,64,65)
InChIKeyWPTJFWNARFKVQO-UHFFFAOYSA-N
MW834.08 g/mol
LogP14.71
Rot. Bonds8

About 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 170411701) has the molecular formula C62H47N3 and a molecular weight of 834.08 g/mol. Its IUPAC name is 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID170411701
Molecular FormulaC62H47N3
Molecular Weight834.08 g/mol
Exact Mass833.38
IUPAC Name2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=CCCC(c2cc3ccccc3c3c2-c2ccc(-c4cccc(C5=CCC(C6=NC(c7ccccc7)N=C(c7ccccc7)N6)C=C5)c4)cc2C3(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C62H47N3/c1-6-19-43(20-7-1)55-40-50-25-16-17-32-53(50)58-57(55)54-38-37-49(41-56(54)62(58,51-28-12-4-13-29-51)52-30-14-5-15-31-52)48-27-18-26-47(39-48)42-33-35-46(36-34-42)61-64-59(44-21-8-2-9-22-44)63-60(65-61)45-23-10-3-11-24-45/h1-6,8-19,21-35,37-41,46,59H,7,20,36H2,(H,63,64,65)
InChIKeyWPTJFWNARFKVQO-UHFFFAOYSA-N
XLogP14.71
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.08
LogP ≤ 514.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170410125
6-[4-[3-(2-cyclohexa-2,4-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]cyclohexa-2,4-dien-1-yl]spiro[8a,14a-dihydrochromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 146613055
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
9-[3-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-6-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),4,6,11,15,17,19-octaene
CID 144964110
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine
CID 166903112
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-[11,11-dimethyl-2-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]benzo[b]fluoren-5-yl]-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 167196515
9-[3-(5,11,11-triphenylbenzo[b]fluoren-2-yl)phenyl]-1,2-dihydro-1,10-phenanthroline
CID 170411869
5,18,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene
CID 144772581
2-[3-[11,11-dimethyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)benzo[a]fluoren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170411064
2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
4-phenyl-2-[4-(6,11,11-triphenylbenzo[a]fluoren-9-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 170411737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 170411701) is 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is C1=CCCC(c2cc3ccccc3c3c2-c2ccc(-c4cccc(C5=CCC(C6=NC(c7ccccc7)N=C(c7ccccc7)N6)C=C5)c4)cc2C3(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is WPTJFWNARFKVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N3/c1-6-19-43(20-7-1)55-40-50-25-16-17-32-53(50)58-57(55)54-38-37-49(41-56(54)62(58,51-28-12-4-13-29-51)52-30-14-5-15-31-52)48-27-18-26-47(39-48)42-33-35-46(36-34-42)61-64-59(44-21-8-2-9-22-44)63-60(65-61)45-23-10-3-11-24-45/h1-6,8-19,21-35,37-41,46,59H,7,20,36H2,(H,63,64,65).
What are the key properties of 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 834.08 g/mol, XLogP of 14.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-cyclohexa-1,3-dien-1-yl-11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]cyclohexa-2,4-dien-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170411701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).