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

C57H37N5 — CID 176870647

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)c34)c2)cc1
InChIInChI=1S/C57H37N5/c1-4-18-38(19-5-1)41-24-16-25-42(36-41)44-29-17-30-48-46-27-11-13-31-50(46)61(54(44)48)43-34-35-47-45-26-10-14-32-51(45)62(53(47)37-43)52-33-15-12-28-49(52)57-59-55(39-20-6-2-7-21-39)58-56(60-57)40-22-8-3-9-23-40/h1-37H
InChIKeyVHRUXJOQPKBFJU-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole (PubChem CID 176870647) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole
PubChem CID176870647
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)c34)c2)cc1
InChIInChI=1S/C57H37N5/c1-4-18-38(19-5-1)41-24-16-25-42(36-41)44-29-17-30-48-46-27-11-13-31-50(46)61(54(44)48)43-34-35-47-45-26-10-14-32-51(45)62(53(47)37-43)52-33-15-12-28-49(52)57-59-55(39-20-6-2-7-21-39)58-56(60-57)40-22-8-3-9-23-40/h1-37H
InChIKeyVHRUXJOQPKBFJU-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155233044
1-carbazol-9-yl-9-[4-phenyl-3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170097695
triphenyl-[9-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
CID 170515960
2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
CID 138599572
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
12-phenyl-18-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701623
12-phenyl-18-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701605
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole
CID 174243956

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole (CID 176870647) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole is c1ccc(-c2cccc(-c3cccc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccccc7-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)c34)c2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole?
The InChIKey is VHRUXJOQPKBFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-4-18-38(19-5-1)41-24-16-25-42(36-41)44-29-17-30-48-46-27-11-13-31-50(46)61(54(44)48)43-34-35-47-45-26-10-14-32-51(45)62(53(47)37-43)52-33-15-12-28-49(52)57-59-55(39-20-6-2-7-21-39)58-56(60-57)40-22-8-3-9-23-40/h1-37H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole is sourced from PubChem (CID 176870647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).