4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

C51H34N4 — CID 167032359

IUPAC4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc4)n3)c2)cc1
InChIInChI=1S/C51H34N4/c1-4-16-35(17-5-1)40-22-14-23-41(34-40)51-53-49(38-20-8-3-9-21-38)52-50(54-51)39-32-30-37(31-33-39)42-24-10-12-27-45(42)55-46-28-13-11-25-44(46)48-43(26-15-29-47(48)55)36-18-6-2-7-19-36/h1-34H
InChIKeyLUBZOBSTJDITEK-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

About 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole

4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 167032359) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID167032359
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc4)n3)c2)cc1
InChIInChI=1S/C51H34N4/c1-4-16-35(17-5-1)40-22-14-23-41(34-40)51-53-49(38-20-8-3-9-21-38)52-50(54-51)39-32-30-37(31-33-39)42-24-10-12-27-45(42)55-46-28-13-11-25-44(46)48-43(26-15-29-47(48)55)36-18-6-2-7-19-36/h1-34H
InChIKeyLUBZOBSTJDITEK-UHFFFAOYSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 175616585
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
CID 177099854
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
9-[4-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;9-[4-[4-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;4-[3-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;9-[5-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;9-[4-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole;9-[4-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole
CID 157377595
4-phenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032257
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164843456
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 167032359) is 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc4)n3)c2)cc1.
What is the InChIKey of 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is LUBZOBSTJDITEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-16-35(17-5-1)40-22-14-23-41(34-40)51-53-49(38-20-8-3-9-21-38)52-50(54-51)39-32-30-37(31-33-39)42-24-10-12-27-45(42)55-46-28-13-11-25-44(46)48-43(26-15-29-47(48)55)36-18-6-2-7-19-36/h1-34H.
What are the key properties of 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 167032359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).