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

C51H36N4 — CID 126627650

IUPAC9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3cccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c3ccccc23)CC1
InChIInChI=1S/C51H36N4/c1-3-14-35(15-4-1)39-18-11-19-40(32-39)37-28-30-38(31-29-37)49-52-50(42-21-12-20-41(33-42)36-16-5-2-6-17-36)54-51(53-49)43-22-13-23-44(34-43)55-47-26-9-7-24-45(47)46-25-8-10-27-48(46)55/h1-9,11-26,28-34H,10,27H2
InChIKeyMPAPURISLXRPHM-UHFFFAOYSA-N
MW704.88 g/mol
LogP12.78
Rot. Bonds7

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

9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole (PubChem CID 126627650) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
PubChem CID126627650
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3cccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c3ccccc23)CC1
InChIInChI=1S/C51H36N4/c1-3-14-35(15-4-1)39-18-11-19-40(32-39)37-28-30-38(31-29-37)49-52-50(42-21-12-20-41(33-42)36-16-5-2-6-17-36)54-51(53-49)43-22-13-23-44(34-43)55-47-26-9-7-24-45(47)46-25-8-10-27-48(46)55/h1-9,11-26,28-34H,10,27H2
InChIKeyMPAPURISLXRPHM-UHFFFAOYSA-N
XLogP12.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 154971962
9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydrotriphenylen-2-yl]-1,2-dihydrocarbazole
CID 163672751
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 170135931
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 161261122
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole (CID 126627650) is 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3cccc(-c4nc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c3ccccc23)CC1.
What is the InChIKey of 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole?
The InChIKey is MPAPURISLXRPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-3-14-35(15-4-1)39-18-11-19-40(32-39)37-28-30-38(31-29-37)49-52-50(42-21-12-20-41(33-42)36-16-5-2-6-17-36)54-51(53-49)43-22-13-23-44(34-43)55-47-26-9-7-24-45(47)46-25-8-10-27-48(46)55/h1-9,11-26,28-34H,10,27H2.
What are the key properties of 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole?
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole has a molecular weight of 704.88 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole is sourced from PubChem (CID 126627650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).