5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole

C40H28N4 — CID 170205043

IUPAC5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
SMILESC1=Cc2c(c3cc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc3n2-c2ccccc2)CC1
InChIInChI=1S/C40H28N4/c1-4-14-27(15-5-1)34-25-35(28-16-6-2-7-17-28)42-40(41-34)44-37-23-13-11-21-31(37)33-24-32-30-20-10-12-22-36(30)43(38(32)26-39(33)44)29-18-8-3-9-19-29/h1-9,11-19,21-26H,10,20H2
InChIKeyLHRJQMMXAOXBPY-UHFFFAOYSA-N
MW564.69 g/mol
LogP9.81
Rot. Bonds4

About 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole

5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole (PubChem CID 170205043) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
PubChem CID170205043
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
SMILESC1=Cc2c(c3cc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc3n2-c2ccccc2)CC1
InChIInChI=1S/C40H28N4/c1-4-14-27(15-5-1)34-25-35(28-16-6-2-7-17-28)42-40(41-34)44-37-23-13-11-21-31(37)33-24-32-30-20-10-12-22-36(30)43(38(32)26-39(33)44)29-18-8-3-9-19-29/h1-9,11-19,21-26H,10,20H2
InChIKeyLHRJQMMXAOXBPY-UHFFFAOYSA-N
XLogP9.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
11-phenyl-12-[4-(11-phenyl-7,8-dihydroindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 147175999
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16-octaene
CID 170137828

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole (CID 170205043) is 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole is C1=Cc2c(c3cc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc3n2-c2ccccc2)CC1.
What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole?
The InChIKey is LHRJQMMXAOXBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-4-14-27(15-5-1)34-25-35(28-16-6-2-7-17-28)42-40(41-34)44-37-23-13-11-21-31(37)33-24-32-30-20-10-12-22-36(30)43(38(32)26-39(33)44)29-18-8-3-9-19-29/h1-9,11-19,21-26H,10,20H2.
What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole?
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole has a molecular weight of 564.69 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 170205043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).