10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole

C48H32N4 — CID 90130670

IUPAC10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C48H32N4/c1-5-15-33(16-6-1)37-29-38(44-32-43(34-17-7-2-8-18-34)49-48(50-44)36-19-9-3-10-20-36)31-40(30-37)52-45-24-14-13-23-41(45)42-26-25-35-27-28-51(46(35)47(42)52)39-21-11-4-12-22-39/h1-32H
InChIKeyBGLALZKZKZDQSY-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.19
Rot. Bonds6

About 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole

10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole (PubChem CID 90130670) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole
PubChem CID90130670
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C48H32N4/c1-5-15-33(16-6-1)37-29-38(44-32-43(34-17-7-2-8-18-34)49-48(50-44)36-19-9-3-10-20-36)31-40(30-37)52-45-24-14-13-23-41(45)42-26-25-35-27-28-51(46(35)47(42)52)39-21-11-4-12-22-39/h1-32H
InChIKeyBGLALZKZKZDQSY-UHFFFAOYSA-N
XLogP12.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
10-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole;10-[4-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole;1-phenyl-10-[4-[4-(2-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 158136227
1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
CID 90091012
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-(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
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
20-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223210

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole?
The IUPAC name of 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole (CID 90130670) is 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole is c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc5ccn(-c6ccccc6)c5c43)c2)cc1.
What is the InChIKey of 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole?
The InChIKey is BGLALZKZKZDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-5-15-33(16-6-1)37-29-38(44-32-43(34-17-7-2-8-18-34)49-48(50-44)36-19-9-3-10-20-36)31-40(30-37)52-45-24-14-13-23-41(45)42-26-25-35-27-28-51(46(35)47(42)52)39-21-11-4-12-22-39/h1-32H.
What are the key properties of 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole?
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole has a molecular weight of 664.81 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90130670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).