7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole

C40H26N4 — CID 118529339

IUPAC7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cnc(-c7ccccc7)nc6)c5cc43)c2)cc1
InChIInChI=1S/C40H26N4/c1-3-12-27(13-4-1)29-16-11-17-30(22-29)43-36-20-9-7-18-32(36)34-23-35-33-19-8-10-21-37(33)44(39(35)24-38(34)43)31-25-41-40(42-26-31)28-14-5-2-6-15-28/h1-26H
InChIKeyXFWKOTKNILISCM-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole

7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole (PubChem CID 118529339) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole
PubChem CID118529339
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cnc(-c7ccccc7)nc6)c5cc43)c2)cc1
InChIInChI=1S/C40H26N4/c1-3-12-27(13-4-1)29-16-11-17-30(22-29)43-36-20-9-7-18-32(36)34-23-35-33-19-8-10-21-37(33)44(39(35)24-38(34)43)31-25-41-40(42-26-31)28-14-5-2-6-15-28/h1-26H
InChIKeyXFWKOTKNILISCM-UHFFFAOYSA-N
XLogP10.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 126580236
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869
5-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362546
5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
12-phenyl-16-(3-phenylphenyl)-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 147944550
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054

Frequently Asked Questions

What is the IUPAC name of 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole?
The IUPAC name of 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole (CID 118529339) is 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cnc(-c7ccccc7)nc6)c5cc43)c2)cc1.
What is the InChIKey of 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole?
The InChIKey is XFWKOTKNILISCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-12-27(13-4-1)29-16-11-17-30(22-29)43-36-20-9-7-18-32(36)34-23-35-33-19-8-10-21-37(33)44(39(35)24-38(34)43)31-25-41-40(42-26-31)28-14-5-2-6-15-28/h1-26H.
What are the key properties of 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole?
7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole has a molecular weight of 562.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenylphenyl)-5-(2-phenylpyrimidin-5-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 118529339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).