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

C49H30N4O — CID 170253549

IUPAC7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6c7ccccc7ccc65)cc5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C49H30N4O/c1-3-14-33(15-4-1)47-50-48(34-16-5-2-6-17-34)52-49(51-47)35-25-23-32(24-26-35)40-29-36(30-44-46(40)39-20-10-12-22-43(39)54-44)53-41-21-11-9-19-38(41)45-37-18-8-7-13-31(37)27-28-42(45)53/h1-30H
InChIKeyBROVNQRONRKKTH-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

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

7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole (PubChem CID 170253549) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
PubChem CID170253549
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6c7ccccc7ccc65)cc5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C49H30N4O/c1-3-14-33(15-4-1)47-50-48(34-16-5-2-6-17-34)52-49(51-47)35-25-23-32(24-26-35)40-29-36(30-44-46(40)39-20-10-12-22-43(39)54-44)53-41-21-11-9-19-38(41)45-37-18-8-7-13-31(37)27-28-42(45)53/h1-30H
InChIKeyBROVNQRONRKKTH-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

7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-(4-phenylphenyl)benzo[c]carbazole
CID 164847964
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 166496032
12-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-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 170253504
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 166495763
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 164715042
7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole
CID 164847855
9-[1-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166496025
7-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]benzo[c]carbazole
CID 166496105
12-[1-[4-dibenzofuran-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-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 164714646
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 163799058
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928

Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole?
The IUPAC name of 7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole (CID 170253549) is 7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6c7ccccc7ccc65)cc5oc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole?
The InChIKey is BROVNQRONRKKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-3-14-33(15-4-1)47-50-48(34-16-5-2-6-17-34)52-49(51-47)35-25-23-32(24-26-35)40-29-36(30-44-46(40)39-20-10-12-22-43(39)54-44)53-41-21-11-9-19-38(41)45-37-18-8-7-13-31(37)27-28-42(45)53/h1-30H.
What are the key properties of 7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole?
7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-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-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole is sourced from PubChem (CID 170253549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).