5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole

C52H34N4 — CID 155240922

IUPAC5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C52H34N4/c1-4-17-35(18-5-1)37-21-16-22-38(31-37)46-34-45(36-19-6-2-7-20-36)53-52(54-46)42-27-12-15-30-49(42)56-48-29-14-11-26-41(48)44-32-50-43(33-51(44)56)40-25-10-13-28-47(40)55(50)39-23-8-3-9-24-39/h1-34H
InChIKeySPNHSYQMBUXMFB-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole

5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole (PubChem CID 155240922) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole
PubChem CID155240922
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C52H34N4/c1-4-17-35(18-5-1)37-21-16-22-38(31-37)46-34-45(36-19-6-2-7-20-36)53-52(54-46)42-27-12-15-30-49(42)56-48-29-14-11-26-41(48)44-32-50-43(33-51(44)56)40-25-10-13-28-47(40)55(50)39-23-8-3-9-24-39/h1-34H
InChIKeySPNHSYQMBUXMFB-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
5-phenyl-11-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole
CID 158156605
9-[2-[6-(3-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[2-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165057661
5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 155761345
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 155240175
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
5,11-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-(2-phenylphenyl)-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-[3-(4-phenylphenyl)phenyl]-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 158262585

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole (CID 155240922) is 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole?
The InChIKey is SPNHSYQMBUXMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-17-35(18-5-1)37-21-16-22-38(31-37)46-34-45(36-19-6-2-7-20-36)53-52(54-46)42-27-12-15-30-49(42)56-48-29-14-11-26-41(48)44-32-50-43(33-51(44)56)40-25-10-13-28-47(40)55(50)39-23-8-3-9-24-39/h1-34H.
What are the key properties of 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole?
5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 155240922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).