9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole

C44H28N4 — CID 146375718

IUPAC9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc43)n2)cc1
InChIInChI=1S/C44H28N4/c1-3-13-29(14-4-1)38-28-39(30-15-5-2-6-16-30)46-44(45-38)48-42-22-12-9-19-36(42)37-26-32-25-33(24-23-31(32)27-43(37)48)47-40-20-10-7-17-34(40)35-18-8-11-21-41(35)47/h1-28H
InChIKeyNPGARTFQBXMMLD-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

About 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole

9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole (PubChem CID 146375718) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole
PubChem CID146375718
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc43)n2)cc1
InChIInChI=1S/C44H28N4/c1-3-13-29(14-4-1)38-28-39(30-15-5-2-6-16-30)46-44(45-38)48-42-22-12-9-19-36(42)37-26-32-25-33(24-23-31(32)27-43(37)48)47-40-20-10-7-17-34(40)35-18-8-11-21-41(35)47/h1-28H
InChIKeyNPGARTFQBXMMLD-UHFFFAOYSA-N
XLogP11.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 134603626
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 134603706
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
5-[7-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 159513122
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole
CID 88559257
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 88559249
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-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 140937291
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502133
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 169037226
23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 121432065

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole?
The IUPAC name of 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole (CID 146375718) is 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole?
The canonical SMILES for 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc43)n2)cc1.
What is the InChIKey of 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole?
The InChIKey is NPGARTFQBXMMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-13-29(14-4-1)38-28-39(30-15-5-2-6-16-30)46-44(45-38)48-42-22-12-9-19-36(42)37-26-32-25-33(24-23-31(32)27-43(37)48)47-40-20-10-7-17-34(40)35-18-8-11-21-41(35)47/h1-28H.
What are the key properties of 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole?
9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole has a molecular weight of 612.74 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146375718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).