11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole

C49H30N4O — CID 164847928

IUPAC11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc(-c6ccccc6)c5c5ccc6ccccc6c54)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-15-31(16-5-1)35-24-14-25-40-43(35)38-28-27-32-17-10-11-22-36(32)45(38)53(40)41-30-29-39(46-44(41)37-23-12-13-26-42(37)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
InChIKeyNTCXQCIYKUARLJ-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole (PubChem CID 164847928) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole
PubChem CID164847928
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc(-c6ccccc6)c5c5ccc6ccccc6c54)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C49H30N4O/c1-4-15-31(16-5-1)35-24-14-25-40-43(35)38-28-27-32-17-10-11-22-36(32)45(38)53(40)41-30-29-39(46-44(41)37-23-12-13-26-42(37)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
InChIKeyNTCXQCIYKUARLJ-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

11-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]benzo[a]carbazole
CID 164847979
21-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 164847930
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole
CID 166495719
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-10-phenylbenzo[c]carbazole
CID 164847819
12-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 164847760
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene
CID 162507195
15-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.06,11.020,25.026,30]triaconta-1(29),2,4(16),5(14),6,8,10,12,17,20,22,24,26(30),27-tetradecaene
CID 162507122
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
12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-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 155042959
12-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]indolo[3,2-c]carbazole
CID 155158723
2-phenyl-7-[4-phenyl-6-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 166583360

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole?
The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole (CID 164847928) is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole.
What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole?
The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc(-c6ccccc6)c5c5ccc6ccccc6c54)c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole?
The InChIKey is NTCXQCIYKUARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-4-15-31(16-5-1)35-24-14-25-40-43(35)38-28-27-32-17-10-11-22-36(32)45(38)53(40)41-30-29-39(46-44(41)37-23-12-13-26-42(37)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 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole?
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]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 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-7-phenylbenzo[a]carbazole is sourced from PubChem (CID 164847928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).