11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole

C59H40N6 — CID 144650039

IUPAC11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole
SMILESCC1C(c2ccccc2)=NC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=NC1n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C59H40N6/c1-37-53(38-19-5-2-6-20-38)60-59(65-52-32-18-14-28-44(52)48-36-34-46-42-26-12-16-30-50(42)63(55(46)57(48)65)40-23-9-4-10-24-40)61-58(37)64-51-31-17-13-27-43(51)47-35-33-45-41-25-11-15-29-49(41)62(54(45)56(47)64)39-21-7-3-8-22-39/h2-37,58H,1H3
InChIKeyLGRPYGWZUSKOIU-UHFFFAOYSA-N
MW833.01 g/mol
LogP14.64
Rot. Bonds4

About 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole

11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole (PubChem CID 144650039) has the molecular formula C59H40N6 and a molecular weight of 833.01 g/mol. Its IUPAC name is 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole
PubChem CID144650039
Molecular FormulaC59H40N6
Molecular Weight833.01 g/mol
Exact Mass832.33
IUPAC Name11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole
SMILESCC1C(c2ccccc2)=NC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=NC1n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C59H40N6/c1-37-53(38-19-5-2-6-20-38)60-59(65-52-32-18-14-28-44(52)48-36-34-46-42-26-12-16-30-50(42)63(55(46)57(48)65)40-23-9-4-10-24-40)61-58(37)64-51-31-17-13-27-43(51)47-35-33-45-41-25-11-15-29-49(41)62(54(45)56(47)64)39-21-7-3-8-22-39/h2-37,58H,1H3
InChIKeyLGRPYGWZUSKOIU-UHFFFAOYSA-N
XLogP14.64
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.01
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 137220792
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
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12-phenyl-11-(6-phenyl-1,2-dihydropyridin-2-yl)indolo[2,3-a]carbazole
CID 70912210
11-(3,5-diphenyl-2,4-diazabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-12-phenylindolo[2,3-a]carbazole
CID 123175819
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
2-carbazol-9-yl-4-phenyl-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 167232927
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
2-bromo-1,9-diphenylcarbazole
CID 174724226
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
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Frequently Asked Questions

What is the IUPAC name of 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole?
The IUPAC name of 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole (CID 144650039) is 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole is CC1C(c2ccccc2)=NC(n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)=NC1n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole?
The InChIKey is LGRPYGWZUSKOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N6/c1-37-53(38-19-5-2-6-20-38)60-59(65-52-32-18-14-28-44(52)48-36-34-46-42-26-12-16-30-50(42)63(55(46)57(48)65)40-23-9-4-10-24-40)61-58(37)64-51-31-17-13-27-43(51)47-35-33-45-41-25-11-15-29-49(41)62(54(45)56(47)64)39-21-7-3-8-22-39/h2-37,58H,1H3.
What are the key properties of 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole?
11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole has a molecular weight of 833.01 g/mol, XLogP of 14.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[5-methyl-6-phenyl-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-4,5-dihydropyrimidin-4-yl]-12-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 144650039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).