2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole

C56H36N6 — CID 138617824

IUPAC2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole
SMILESc1ccc(-c2ccc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6nc(-c8ccccc8)nc(-c8ccccc8)c6n7-c6ccccc6)ccc54)n3)cc2)cc1
InChIInChI=1S/C56H36N6/c1-5-15-37(16-6-1)38-25-27-39(28-26-38)48-33-34-57-56(58-48)62-49-24-14-13-23-45(49)46-35-42(29-31-50(46)62)43-30-32-51-47(36-43)53-54(61(51)44-21-11-4-12-22-44)52(40-17-7-2-8-18-40)59-55(60-53)41-19-9-3-10-20-41/h1-36H
InChIKeyDBDRXKGJPPEFPA-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.80
Rot. Bonds7

About 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole

2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole (PubChem CID 138617824) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole.

Molecular Properties

Compound Name2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole
PubChem CID138617824
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole
SMILESc1ccc(-c2ccc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6nc(-c8ccccc8)nc(-c8ccccc8)c6n7-c6ccccc6)ccc54)n3)cc2)cc1
InChIInChI=1S/C56H36N6/c1-5-15-37(16-6-1)38-25-27-39(28-26-38)48-33-34-57-56(58-48)62-49-24-14-13-23-45(49)46-35-42(29-31-50(46)62)43-30-32-51-47(36-43)53-54(61(51)44-21-11-4-12-22-44)52(40-17-7-2-8-18-40)59-55(60-53)41-19-9-3-10-20-41/h1-36H
InChIKeyDBDRXKGJPPEFPA-UHFFFAOYSA-N
XLogP13.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,9-diphenyl-6-[9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazole
CID 158736028
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole
CID 160767185
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
4,5-diphenyl-2-[3-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole
CID 162186175
2-(3,5-diphenylphenyl)-5-phenyl-4-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(3-phenylphenyl)pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(4-phenylphenyl)pyrimido[5,4-b]indole;4,5-diphenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole
CID 158496211
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-[4-(2-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 159021278
3-(9-phenylcarbazol-3-yl)-9-[4-[5-(3-phenylphenyl)-3-pyridinyl]pyrimidin-2-yl]carbazole
CID 90086381
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,5-diphenylpyrimido[5,4-b]indole
CID 122628688
5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole
CID 118229253
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 157413882

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole?
The IUPAC name of 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole (CID 138617824) is 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole.
What is the SMILES notation for 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole?
The canonical SMILES for 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole is c1ccc(-c2ccc(-c3ccnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6nc(-c8ccccc8)nc(-c8ccccc8)c6n7-c6ccccc6)ccc54)n3)cc2)cc1.
What is the InChIKey of 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole?
The InChIKey is DBDRXKGJPPEFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-5-15-37(16-6-1)38-25-27-39(28-26-38)48-33-34-57-56(58-48)62-49-24-14-13-23-45(49)46-35-42(29-31-50(46)62)43-30-32-51-47(36-43)53-54(61(51)44-21-11-4-12-22-44)52(40-17-7-2-8-18-40)59-55(60-53)41-19-9-3-10-20-41/h1-36H.
What are the key properties of 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole?
2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole is sourced from PubChem (CID 138617824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).