5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole

C46H30N4 — CID 170138983

IUPAC5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)[nH]c4ccccc46)n3)cc2)cc1
InChIInChI=1S/C46H30N4/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)46-48-40(32-15-5-2-6-16-32)28-41(49-46)36-19-9-12-22-44(36)50-43-21-11-8-18-35(43)38-27-37-34-17-7-10-20-39(34)47-42(37)29-45(38)50/h1-29,47H
InChIKeyMINGWBVOYIALHP-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.88
Rot. Bonds5

About 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole

5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole (PubChem CID 170138983) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole
PubChem CID170138983
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)[nH]c4ccccc46)n3)cc2)cc1
InChIInChI=1S/C46H30N4/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)46-48-40(32-15-5-2-6-16-32)28-41(49-46)36-19-9-12-22-44(36)50-43-21-11-8-18-35(43)38-27-37-34-17-7-10-20-39(34)47-42(37)29-45(38)50/h1-29,47H
InChIKeyMINGWBVOYIALHP-UHFFFAOYSA-N
XLogP11.88
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
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
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
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
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
9-[2-[6-[11-[6-(2-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151694
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
CID 169037058
9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 158403329
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 158497325

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole?
The IUPAC name of 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole (CID 170138983) is 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole?
The canonical SMILES for 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)[nH]c4ccccc46)n3)cc2)cc1.
What is the InChIKey of 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole?
The InChIKey is MINGWBVOYIALHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)46-48-40(32-15-5-2-6-16-32)28-41(49-46)36-19-9-12-22-44(36)50-43-21-11-8-18-35(43)38-27-37-34-17-7-10-20-39(34)47-42(37)29-45(38)50/h1-29,47H.
What are the key properties of 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole?
5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole has a molecular weight of 638.77 g/mol, XLogP of 11.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole is sourced from PubChem (CID 170138983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).