9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole

C98H60N8O2 — CID 165057427

IUPAC9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c5ccccc45)cc3)n2)cc1
InChIInChI=1S/2C49H30N4O/c2*1-3-13-32(14-4-1)47-50-48(33-15-5-2-6-16-33)52-49(51-47)34-25-23-31(24-26-34)41-30-45-46(39-20-8-7-17-36(39)41)40-28-27-35(29-44(40)54-45)53-42-21-11-9-18-37(42)38-19-10-12-22-43(38)53/h2*1-30H
InChIKeyQQNRVMXBXNKSOG-UHFFFAOYSA-N
MW1381.61 g/mol
LogP25.38
Rot. Bonds10

About 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole

9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole (PubChem CID 165057427) has the molecular formula C98H60N8O2 and a molecular weight of 1381.61 g/mol. Its IUPAC name is 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole.

Molecular Properties

Compound Name9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
PubChem CID165057427
Molecular FormulaC98H60N8O2
Molecular Weight1381.61 g/mol
Exact Mass1380.48
IUPAC Name9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c5ccccc45)cc3)n2)cc1
InChIInChI=1S/2C49H30N4O/c2*1-3-13-32(14-4-1)47-50-48(33-15-5-2-6-16-33)52-49(51-47)34-25-23-31(24-26-34)41-30-45-46(39-20-8-7-17-36(39)41)40-28-27-35(29-44(40)54-45)53-42-21-11-9-18-37(42)38-19-10-12-22-43(38)53/h2*1-30H
InChIKeyQQNRVMXBXNKSOG-UHFFFAOYSA-N
XLogP25.38
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001381.61
LogP ≤ 525.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl]carbazole
CID 146664716
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
9-[1-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166496025
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole
CID 146664710
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 158234819
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 166495763
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1-phenylcarbazole
CID 154624614
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole
CID 155203348

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole?
The IUPAC name of 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole (CID 165057427) is 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole.
What is the SMILES notation for 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole?
The canonical SMILES for 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole?
The InChIKey is QQNRVMXBXNKSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H30N4O/c2*1-3-13-32(14-4-1)47-50-48(33-15-5-2-6-16-33)52-49(51-47)34-25-23-31(24-26-34)41-30-45-46(39-20-8-7-17-36(39)41)40-28-27-35(29-44(40)54-45)53-42-21-11-9-18-37(42)38-19-10-12-22-43(38)53/h2*1-30H.
What are the key properties of 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole?
9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole has a molecular weight of 1381.61 g/mol, XLogP of 25.38, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole is sourced from PubChem (CID 165057427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).