7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole

C49H30N4O — CID 166495719

IUPAC7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-n6c7ccccc7c7c8ccccc8ccc76)ccc(-c6ccccc6)c5c34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-15-31(16-5-1)36-28-30-41(53-39-25-13-12-23-37(39)43-35-22-11-10-17-32(35)27-29-40(43)53)46-45(36)44-38(24-14-26-42(44)54-46)49-51-47(33-18-6-2-7-19-33)50-48(52-49)34-20-8-3-9-21-34/h1-30H
InChIKeyHLRAQKMUFDHPGU-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole

7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole (PubChem CID 166495719) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole
PubChem CID166495719
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-n6c7ccccc7c7c8ccccc8ccc76)ccc(-c6ccccc6)c5c34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-15-31(16-5-1)36-28-30-41(53-39-25-13-12-23-37(39)43-35-22-11-10-17-32(35)27-29-40(43)53)46-45(36)44-38(24-14-26-42(44)54-46)49-51-47(33-18-6-2-7-19-33)50-48(52-49)34-20-8-3-9-21-34/h1-30H
InChIKeyHLRAQKMUFDHPGU-UHFFFAOYSA-N
XLogP12.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
CID 166495841
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 164847996
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-11-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 167424066
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-10-phenylbenzo[c]carbazole
CID 164847819
12-[1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 164714640
9,15-diphenyl-12-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[a]carbazole;7-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 163795615
9-[4-(9-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170106843
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole
CID 164847928
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 166495798
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495889
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 160548557

Frequently Asked Questions

What is the IUPAC name of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole?
The IUPAC name of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole (CID 166495719) is 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole?
The canonical SMILES for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-n6c7ccccc7c7c8ccccc8ccc76)ccc(-c6ccccc6)c5c34)n2)cc1.
What is the InChIKey of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole?
The InChIKey is HLRAQKMUFDHPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-4-15-31(16-5-1)36-28-30-41(53-39-25-13-12-23-37(39)43-35-22-11-10-17-32(35)27-29-40(43)53)46-45(36)44-38(24-14-26-42(44)54-46)49-51-47(33-18-6-2-7-19-33)50-48(52-49)34-20-8-3-9-21-34/h1-30H.
What are the key properties of 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole?
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole has a molecular weight of 690.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole is sourced from PubChem (CID 166495719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).