5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole

C46H32N4 — CID 149205020

IUPAC5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)CC1
InChIInChI=1S/C46H32N4/c1-4-15-31(16-5-1)40-29-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34/h1-11,13-24,26-30H,12,25H2
InChIKeyXFKWUEARIBOJBC-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.48
Rot. Bonds5

About 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole

5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole (PubChem CID 149205020) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
PubChem CID149205020
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)CC1
InChIInChI=1S/C46H32N4/c1-4-15-31(16-5-1)40-29-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34/h1-11,13-24,26-30H,12,25H2
InChIKeyXFKWUEARIBOJBC-UHFFFAOYSA-N
XLogP11.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170205976
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
CID 146489535
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 122465672
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole (CID 149205020) is 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole is C1=Cc2c(n(-c3ccccc3)c3cc4c(cc23)c2ccccc2n4-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)CC1.
What is the InChIKey of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole?
The InChIKey is XFKWUEARIBOJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-4-15-31(16-5-1)40-29-41(32-17-6-2-7-18-32)48-46(47-40)33-19-14-22-35(27-33)50-43-26-13-11-24-37(43)39-28-38-36-23-10-12-25-42(36)49(44(38)30-45(39)50)34-20-8-3-9-21-34/h1-11,13-24,26-30H,12,25H2.
What are the key properties of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole?
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole has a molecular weight of 640.79 g/mol, XLogP of 11.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 149205020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).