5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole

C40H26N4 — CID 134168850

IUPAC5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H26N4/c1-4-14-27(15-5-1)34-25-39(42-40(41-34)28-16-6-2-7-17-28)44-36-23-13-11-21-31(36)33-24-32-30-20-10-12-22-35(30)43(37(32)26-38(33)44)29-18-8-3-9-19-29/h1-26H
InChIKeyBMNYWFMDNVLHNP-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole

5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 134168850) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID134168850
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H26N4/c1-4-14-27(15-5-1)34-25-39(42-40(41-34)28-16-6-2-7-17-28)44-36-23-13-11-21-31(36)33-24-32-30-20-10-12-22-35(30)43(37(32)26-38(33)44)29-18-8-3-9-19-29/h1-26H
InChIKeyBMNYWFMDNVLHNP-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-(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
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-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
5-(2,6-diphenylpyrimidin-4-yl)-15,15-dimethyl-25-phenyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 118242820
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158761095
9-(3-carbazol-9-ylphenyl)-14-(2,6-diphenylpyrimidin-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937279
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159291307
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161289745
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
CID 159773020

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole (CID 134168850) is 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is BMNYWFMDNVLHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-4-14-27(15-5-1)34-25-39(42-40(41-34)28-16-6-2-7-17-28)44-36-23-13-11-21-31(36)33-24-32-30-20-10-12-22-35(30)43(37(32)26-38(33)44)29-18-8-3-9-19-29/h1-26H.
What are the key properties of 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole?
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[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 5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 134168850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).