10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole

C61H37N5O — CID 138475112

IUPAC10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1
InChIInChI=1S/C61H37N5O/c1-4-16-39(17-5-1)59-62-60(40-18-6-2-7-19-40)64-61(63-59)66-51-25-13-12-23-47(51)48-35-41(28-31-52(48)66)42-30-34-55-50(36-42)58-46(24-14-26-56(58)67-55)43-29-32-53-49(37-43)57-45-22-11-10-15-38(45)27-33-54(57)65(53)44-20-8-3-9-21-44/h1-37H
InChIKeyPGEZTWTUTWGWQK-UHFFFAOYSA-N
MW856.00 g/mol
LogP15.79
Rot. Bonds6

About 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole

10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole (PubChem CID 138475112) has the molecular formula C61H37N5O and a molecular weight of 856.00 g/mol. Its IUPAC name is 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
PubChem CID138475112
Molecular FormulaC61H37N5O
Molecular Weight856.00 g/mol
Exact Mass855.30
IUPAC Name10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1
InChIInChI=1S/C61H37N5O/c1-4-16-39(17-5-1)59-62-60(40-18-6-2-7-19-40)64-61(63-59)66-51-25-13-12-23-47(51)48-35-41(28-31-52(48)66)42-30-34-55-50(36-42)58-46(24-14-26-56(58)67-55)43-29-32-53-49(37-43)57-45-22-11-10-15-38(45)27-33-54(57)65(53)44-20-8-3-9-21-44/h1-37H
InChIKeyPGEZTWTUTWGWQK-UHFFFAOYSA-N
XLogP15.79
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 155485428
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 163799058
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 154602051
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-tert-butyl-6-[3-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 138475035
3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636

Frequently Asked Questions

What is the IUPAC name of 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole?
The IUPAC name of 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole (CID 138475112) is 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole?
The canonical SMILES for 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8c%10ccccc%10ccc8n9-c8ccccc8)c7c6c5)ccc43)n2)cc1.
What is the InChIKey of 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole?
The InChIKey is PGEZTWTUTWGWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O/c1-4-16-39(17-5-1)59-62-60(40-18-6-2-7-19-40)64-61(63-59)66-51-25-13-12-23-47(51)48-35-41(28-31-52(48)66)42-30-34-55-50(36-42)58-46(24-14-26-56(58)67-55)43-29-32-53-49(37-43)57-45-22-11-10-15-38(45)27-33-54(57)65(53)44-20-8-3-9-21-44/h1-37H.
What are the key properties of 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole?
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole has a molecular weight of 856.00 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 138475112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).