9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole

C75H52N4 — CID 167401664

IUPAC9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
SMILESC1=CCC(c2ccc(-c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)C=C1
InChIInChI=1S/C75H52N4/c1-6-18-51(19-7-1)56-30-38-60(39-31-56)67-49-65(75-77-73(62-42-34-58(35-43-62)53-22-10-3-11-23-53)76-74(78-75)63-44-36-59(37-45-63)54-24-12-4-13-25-54)50-68(61-40-32-57(33-41-61)52-20-8-2-9-21-52)72(67)79-70-29-17-16-28-66(70)69-48-64(46-47-71(69)79)55-26-14-5-15-27-55/h1-20,22-50,52H,21H2
InChIKeyZGVDQHPWSPRXGP-UHFFFAOYSA-N
MW1009.27 g/mol
LogP19.57
Rot. Bonds11

About 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole

9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole (PubChem CID 167401664) has the molecular formula C75H52N4 and a molecular weight of 1009.27 g/mol. Its IUPAC name is 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
PubChem CID167401664
Molecular FormulaC75H52N4
Molecular Weight1009.27 g/mol
Exact Mass1008.42
IUPAC Name9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
SMILESC1=CCC(c2ccc(-c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)C=C1
InChIInChI=1S/C75H52N4/c1-6-18-51(19-7-1)56-30-38-60(39-31-56)67-49-65(75-77-73(62-42-34-58(35-43-62)53-22-10-3-11-23-53)76-74(78-75)63-44-36-59(37-45-63)54-24-12-4-13-25-54)50-68(61-40-32-57(33-41-61)52-20-8-2-9-21-52)72(67)79-70-29-17-16-28-66(70)69-48-64(46-47-71(69)79)55-26-14-5-15-27-55/h1-20,22-50,52H,21H2
InChIKeyZGVDQHPWSPRXGP-UHFFFAOYSA-N
XLogP19.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.27
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole with MolForge

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Related Compounds

5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
CID 167072509
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
CID 153304404
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171771502
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)phenyl]-6-phenylcarbazole
CID 167403511
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole
CID 146280577
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(3-phenylphenyl)carbazole
CID 167381390
3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280568

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole (CID 167401664) is 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole is C1=CCC(c2ccc(-c3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)C=C1.
What is the InChIKey of 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole?
The InChIKey is ZGVDQHPWSPRXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N4/c1-6-18-51(19-7-1)56-30-38-60(39-31-56)67-49-65(75-77-73(62-42-34-58(35-43-62)53-22-10-3-11-23-53)76-74(78-75)63-44-36-59(37-45-63)54-24-12-4-13-25-54)50-68(61-40-32-57(33-41-61)52-20-8-2-9-21-52)72(67)79-70-29-17-16-28-66(70)69-48-64(46-47-71(69)79)55-26-14-5-15-27-55/h1-20,22-50,52H,21H2.
What are the key properties of 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole?
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole has a molecular weight of 1009.27 g/mol, XLogP of 19.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 167401664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).