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

C54H35N7 — CID 118448496

IUPAC1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5[nH]c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C54H35N7/c1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)41-27-15-25-39(31-41)43-33-45(48-46(34-43)44-29-13-14-30-47(44)55-48)40-26-16-28-42(32-40)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38/h1-34,55H
InChIKeyGNVNVVSMDADCRM-UHFFFAOYSA-N
MW781.92 g/mol
LogP13.03
Rot. Bonds8

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

1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole (PubChem CID 118448496) has the molecular formula C54H35N7 and a molecular weight of 781.92 g/mol. Its IUPAC name is 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
PubChem CID118448496
Molecular FormulaC54H35N7
Molecular Weight781.92 g/mol
Exact Mass781.30
IUPAC Name1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5[nH]c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C54H35N7/c1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)41-27-15-25-39(31-41)43-33-45(48-46(34-43)44-29-13-14-30-47(44)55-48)40-26-16-28-42(32-40)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38/h1-34,55H
InChIKeyGNVNVVSMDADCRM-UHFFFAOYSA-N
XLogP13.03
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.92
LogP ≤ 513.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913
1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole
CID 167363642
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
1,3,6-triphenyl-9H-carbazole
CID 118052457
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311586
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672
2,4-diphenyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,5-triazine
CID 122470021
3-(9H-carbazol-3-yl)-1-naphthalen-1-yl-9H-carbazole
CID 175403206
1-[3-[4-[4-(3-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126496171
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 118448619

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole?
The IUPAC name of 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole (CID 118448496) is 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole?
The canonical SMILES for 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5[nH]c6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole?
The InChIKey is GNVNVVSMDADCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N7/c1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)41-27-15-25-39(31-41)43-33-45(48-46(34-43)44-29-13-14-30-47(44)55-48)40-26-16-28-42(32-40)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38/h1-34,55H.
What are the key properties of 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole?
1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole has a molecular weight of 781.92 g/mol, XLogP of 13.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 118448496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).