5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole

C50H32N4 — CID 134552483

IUPAC5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H32N4/c1-4-16-33(17-5-1)43-32-47(52-50(51-43)34-18-6-2-7-19-34)54-45-27-15-13-25-40(45)42-30-35-20-10-11-23-38(35)48(49(42)54)36-28-29-46-41(31-36)39-24-12-14-26-44(39)53(46)37-21-8-3-9-22-37/h1-32H
InChIKeyCSWJPRDYXAZQLC-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole

5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole (PubChem CID 134552483) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
PubChem CID134552483
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H32N4/c1-4-16-33(17-5-1)43-32-47(52-50(51-43)34-18-6-2-7-19-34)54-45-27-15-13-25-40(45)42-30-35-20-10-11-23-38(35)48(49(42)54)36-28-29-46-41(31-36)39-24-12-14-26-44(39)53(46)37-21-8-3-9-22-37/h1-32H
InChIKeyCSWJPRDYXAZQLC-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]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

3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
16-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465610
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161375689
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole
CID 134552473

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole (CID 134552483) is 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The InChIKey is CSWJPRDYXAZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-4-16-33(17-5-1)43-32-47(52-50(51-43)34-18-6-2-7-19-34)54-45-27-15-13-25-40(45)42-30-35-20-10-11-23-38(35)48(49(42)54)36-28-29-46-41(31-36)39-24-12-14-26-44(39)53(46)37-21-8-3-9-22-37/h1-32H.
What are the key properties of 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 134552483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).