9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole

C105H73N13 — CID 161266097

IUPAC9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C47H35N7.C32H21N3.C26H17N3/c1-28-11-15-41-35(21-28)36-22-29(2)12-16-42(36)53(41)33-25-32(45-50-46(39-9-5-7-19-48-39)52-47(51-45)40-10-6-8-20-49-40)26-34(27-33)54-43-17-13-30(3)23-37(43)38-24-31(4)14-18-44(38)54;1-2-11-22(12-3-1)31-27-17-4-7-18-28(27)33-32(34-31)23-13-10-14-24(21-23)35-29-19-8-5-15-25(29)26-16-6-9-20-30(26)35;1-2-10-18(11-3-1)25-21-14-4-7-15-22(21)27-26(28-25)29-23-16-8-5-12-19(23)20-13-6-9-17-24(20)29/h5-27H,1-4H3;1-21H;1-17H
InChIKeyVDEYQSOTKVGCPA-UHFFFAOYSA-N
MW1516.83 g/mol
LogP25.55
Rot. Bonds10

About 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole

9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 161266097) has the molecular formula C105H73N13 and a molecular weight of 1516.83 g/mol. Its IUPAC name is 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID161266097
Molecular FormulaC105H73N13
Molecular Weight1516.83 g/mol
Exact Mass1515.61
IUPAC Name9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3ccccc23)cc1
InChIInChI=1S/C47H35N7.C32H21N3.C26H17N3/c1-28-11-15-41-35(21-28)36-22-29(2)12-16-42(36)53(41)33-25-32(45-50-46(39-9-5-7-19-48-39)52-47(51-45)40-10-6-8-20-49-40)26-34(27-33)54-43-17-13-30(3)23-37(43)38-24-31(4)14-18-44(38)54;1-2-11-22(12-3-1)31-27-17-4-7-18-28(27)33-32(34-31)23-13-10-14-24(21-23)35-29-19-8-5-15-25(29)26-16-6-9-20-30(26)35;1-2-10-18(11-3-1)25-21-14-4-7-15-22(21)27-26(28-25)29-23-16-8-5-12-19(23)20-13-6-9-17-24(20)29/h5-27H,1-4H3;1-21H;1-17H
InChIKeyVDEYQSOTKVGCPA-UHFFFAOYSA-N
XLogP25.55
TPSA135.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001516.83
LogP ≤ 525.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 160822067
3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
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3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
3-(9H-carbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699073
2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline
CID 147735698
N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 161499770
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 162500647
9-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-[4-[3-(3,5-diphenylphenyl)phenyl]quinazolin-2-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236954
9-(4-naphthalen-2-ylquinazolin-2-yl)-14-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134509632
3-phenyl-6-[3-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-[3-[4-(4-pyrimidin-2-ylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole
CID 158707289

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 161266097) is 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3ccccc23)cc1.
What is the InChIKey of 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is VDEYQSOTKVGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N7.C32H21N3.C26H17N3/c1-28-11-15-41-35(21-28)36-22-29(2)12-16-42(36)53(41)33-25-32(45-50-46(39-9-5-7-19-48-39)52-47(51-45)40-10-6-8-20-49-40)26-34(27-33)54-43-17-13-30(3)23-37(43)38-24-31(4)14-18-44(38)54;1-2-11-22(12-3-1)31-27-17-4-7-18-28(27)33-32(34-31)23-13-10-14-24(21-23)35-29-19-8-5-15-25(29)26-16-6-9-20-30(26)35;1-2-10-18(11-3-1)25-21-14-4-7-15-22(21)27-26(28-25)29-23-16-8-5-12-19(23)20-13-6-9-17-24(20)29/h5-27H,1-4H3;1-21H;1-17H.
What are the key properties of 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole?
9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 1516.83 g/mol, XLogP of 25.55, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3,6-dimethylcarbazol-9-yl)-5-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 161266097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).