12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

C45H31N5 — CID 166650856

IUPAC12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESC1=C(c2ccccc2)NC(c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)N=C1c1ccccc1
InChIInChI=1S/C45H31N5/c1-4-15-30(16-5-1)38-29-39(31-17-6-2-7-18-31)48-45(47-38)37-23-14-26-42(46-37)50-41-25-13-11-22-34(41)36-28-27-35-33-21-10-12-24-40(33)49(43(35)44(36)50)32-19-8-3-9-20-32/h1-29,45,47H
InChIKeyDPUBMIQJECUFMT-UHFFFAOYSA-N
MW641.78 g/mol
LogP10.41
Rot. Bonds5

About 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole

12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 166650856) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID166650856
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
SMILESC1=C(c2ccccc2)NC(c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)N=C1c1ccccc1
InChIInChI=1S/C45H31N5/c1-4-15-30(16-5-1)38-29-39(31-17-6-2-7-18-31)48-45(47-38)37-23-14-26-42(46-37)50-41-25-13-11-22-34(41)36-28-27-35-33-21-10-12-24-40(33)49(43(35)44(36)50)32-19-8-3-9-20-32/h1-29,45,47H
InChIKeyDPUBMIQJECUFMT-UHFFFAOYSA-N
XLogP10.41
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole with MolForge

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Related Compounds

9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
12-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9,10-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 129200006
11-phenyl-12-[6-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 134240187
12-(6-carbazol-9-yl-2-pyridinyl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 118041124
16-[4-[3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 121442241
12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 58570101
6-(11-phenylindolo[2,3-a]carbazol-12-yl)pyridine-2-carbonitrile
CID 144595820
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,2-dihydropyrimidin-2-yl]dibenzofuran-4-yl]carbazole
CID 166961182
11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 170268381
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
5-[6-(6-cyclohexa-1,3-dien-1-yl-4-phenyl-4,5-dihydropyrimidin-2-yl)-2,3-dihydropyridin-2-yl]-12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 70912348

Frequently Asked Questions

What is the IUPAC name of 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole (CID 166650856) is 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is C1=C(c2ccccc2)NC(c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)N=C1c1ccccc1.
What is the InChIKey of 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is DPUBMIQJECUFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-4-15-30(16-5-1)38-29-39(31-17-6-2-7-18-31)48-45(47-38)37-23-14-26-42(46-37)50-41-25-13-11-22-34(41)36-28-27-35-33-21-10-12-24-40(33)49(43(35)44(36)50)32-19-8-3-9-20-32/h1-29,45,47H.
What are the key properties of 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole?
12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 641.78 g/mol, XLogP of 10.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 166650856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).