9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C55H34N4O — CID 177283311

IUPAC9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)nc(-c6cccc7c6oc6ccccc67)n5)cc4)c23)cc1
InChIInChI=1S/C55H34N4O/c1-2-14-35(15-3-1)41-23-11-16-37-17-12-24-42(51(37)41)36-30-32-38(33-31-36)53-56-54(58-55(57-53)47-26-13-25-46-45-22-6-9-29-50(45)60-52(46)47)39-18-10-19-40(34-39)59-48-27-7-4-20-43(48)44-21-5-8-28-49(44)59/h1-34H
InChIKeyOSSRNJLWKMGMEQ-UHFFFAOYSA-N
MW766.90 g/mol
LogP14.36
Rot. Bonds6

About 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177283311) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID177283311
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)nc(-c6cccc7c6oc6ccccc67)n5)cc4)c23)cc1
InChIInChI=1S/C55H34N4O/c1-2-14-35(15-3-1)41-23-11-16-37-17-12-24-42(51(37)41)36-30-32-38(33-31-36)53-56-54(58-55(57-53)47-26-13-25-46-45-22-6-9-29-50(45)60-52(46)47)39-18-10-19-40(34-39)59-48-27-7-4-20-43(48)44-21-5-8-28-49(44)59/h1-34H
InChIKeyOSSRNJLWKMGMEQ-UHFFFAOYSA-N
XLogP14.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
CID 166916866
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916170
5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362950
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498
3-(4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146658073
9-phenyl-2-[6-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 155477559
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 146620661
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
9-(3-dibenzofuran-4-ylphenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 129265333

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177283311) is 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2cccc3cccc(-c4ccc(-c5nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)nc(-c6cccc7c6oc6ccccc67)n5)cc4)c23)cc1.
What is the InChIKey of 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is OSSRNJLWKMGMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-2-14-35(15-3-1)41-23-11-16-37-17-12-24-42(51(37)41)36-30-32-38(33-31-36)53-56-54(58-55(57-53)47-26-13-25-46-45-22-6-9-29-50(45)60-52(46)47)39-18-10-19-40(34-39)59-48-27-7-4-20-43(48)44-21-5-8-28-49(44)59/h1-34H.
What are the key properties of 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 766.90 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177283311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).