1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole

C50H32N6 — CID 90091012

IUPAC1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-14-35(15-5-1)50-51-44(55-42-22-12-10-20-38(42)40-26-24-33-28-30-53(46(33)48(40)55)36-16-6-2-7-17-36)32-45(52-50)56-43-23-13-11-21-39(43)41-27-25-34-29-31-54(47(34)49(41)56)37-18-8-3-9-19-37/h1-32H
InChIKeyJEAGAHBDYJOLSY-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.23
Rot. Bonds5

About 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole

1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole (PubChem CID 90091012) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
PubChem CID90091012
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-14-35(15-5-1)50-51-44(55-42-22-12-10-20-38(42)40-26-24-33-28-30-53(46(33)48(40)55)36-16-6-2-7-17-36)32-45(52-50)56-43-23-13-11-21-39(43)41-27-25-34-29-31-54(47(34)49(41)56)37-18-8-3-9-19-37/h1-32H
InChIKeyJEAGAHBDYJOLSY-UHFFFAOYSA-N
XLogP12.23
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343
1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90090897
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90130670
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaene
CID 90223375
1-(3,5-diphenylphenyl)-10-[4-[4-[1-(3,5-diphenylphenyl)pyrrolo[2,3-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[2,3-a]carbazole
CID 90090913
12-(2,6-diphenylpyrimidin-4-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 121385306

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole (CID 90091012) is 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole?
The InChIKey is JEAGAHBDYJOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-4-14-35(15-5-1)50-51-44(55-42-22-12-10-20-38(42)40-26-24-33-28-30-53(46(33)48(40)55)36-16-6-2-7-17-36)32-45(52-50)56-43-23-13-11-21-39(43)41-27-25-34-29-31-54(47(34)49(41)56)37-18-8-3-9-19-37/h1-32H.
What are the key properties of 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole?
1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole has a molecular weight of 716.85 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90091012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).