5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole

C49H33N5O — CID 155038168

IUPAC5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(C2NC(c3cc4oc5ccccc5c4cc3-n3c4ccccc4c4cc5ccccc5cc43)=NC(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C49H33N5O/c1-2-14-30(15-3-1)47-50-48(52-49(51-47)54-41-23-11-6-18-33(41)34-19-7-12-24-42(34)54)39-29-46-38(36-21-9-13-25-45(36)55-46)28-44(39)53-40-22-10-8-20-35(40)37-26-31-16-4-5-17-32(31)27-43(37)53/h1-29,47,49,51H,(H,50,52)
InChIKeyPTBUCQVYHZAZAT-UHFFFAOYSA-N
MW707.84 g/mol
LogP11.74
Rot. Bonds4

About 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole

5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole (PubChem CID 155038168) has the molecular formula C49H33N5O and a molecular weight of 707.84 g/mol. Its IUPAC name is 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
PubChem CID155038168
Molecular FormulaC49H33N5O
Molecular Weight707.84 g/mol
Exact Mass707.27
IUPAC Name5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(C2NC(c3cc4oc5ccccc5c4cc3-n3c4ccccc4c4cc5ccccc5cc43)=NC(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C49H33N5O/c1-2-14-30(15-3-1)47-50-48(52-49(51-47)54-41-23-11-6-18-33(41)34-19-7-12-24-42(34)54)39-29-46-38(36-21-9-13-25-45(36)55-46)28-44(39)53-40-22-10-8-20-35(40)37-26-31-16-4-5-17-32(31)27-43(37)53/h1-29,47,49,51H,(H,50,52)
InChIKeyPTBUCQVYHZAZAT-UHFFFAOYSA-N
XLogP11.74
TPSA59.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.84
LogP ≤ 511.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 163792015
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347889
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167348086
5-[3-(4-carbazol-9-yl-2-dibenzothiophen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 166699790
12-[3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 166700220
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 155037672
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700154
25-(4,6-diphenyl-1,3,5-triazinan-2-yl)-15-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 126680118
5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347585

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole (CID 155038168) is 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole is c1ccc(C2NC(c3cc4oc5ccccc5c4cc3-n3c4ccccc4c4cc5ccccc5cc43)=NC(n3c4ccccc4c4ccccc43)N2)cc1.
What is the InChIKey of 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
The InChIKey is PTBUCQVYHZAZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5O/c1-2-14-30(15-3-1)47-50-48(52-49(51-47)54-41-23-11-6-18-33(41)34-19-7-12-24-42(34)54)39-29-46-38(36-21-9-13-25-45(36)55-46)28-44(39)53-40-22-10-8-20-35(40)37-26-31-16-4-5-17-32(31)27-43(37)53/h1-29,47,49,51H,(H,50,52).
What are the key properties of 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole?
5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole has a molecular weight of 707.84 g/mol, XLogP of 11.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-carbazol-9-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155038168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).