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

C60H46N8 — CID 70912348

IUPAC5-[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
SMILESC1=CCCC(C2=NC(C3=NC(n4c5ccccc5c5c6c(ccc54)c4ccccc4n6-c4cccc(C5N=C(c6ccccc6)C=C(c6ccccc6)N5)n4)CC=C3)=NC(c3ccccc3)C2)=C1
InChIInChI=1S/C60H46N8/c1-5-19-39(20-6-1)48-37-49(40-21-7-2-8-22-40)64-59(63-48)46-29-17-33-55(61-46)67-53-32-16-14-28-45(53)57-54(67)36-35-44-43-27-13-15-31-52(43)68(58(44)57)56-34-18-30-47(62-56)60-65-50(41-23-9-3-10-24-41)38-51(66-60)42-25-11-4-12-26-42/h1-7,9-21,23-32,34-36,38,48,55,60,65H,8,22,33,37H2
InChIKeyLSNSVBFJPOWSDZ-UHFFFAOYSA-N
MW879.08 g/mol
LogP13.58
Rot. Bonds8

About 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

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 (PubChem CID 70912348) has the molecular formula C60H46N8 and a molecular weight of 879.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID70912348
Molecular FormulaC60H46N8
Molecular Weight879.08 g/mol
Exact Mass878.38
IUPAC Name5-[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
SMILESC1=CCCC(C2=NC(C3=NC(n4c5ccccc5c5c6c(ccc54)c4ccccc4n6-c4cccc(C5N=C(c6ccccc6)C=C(c6ccccc6)N5)n4)CC=C3)=NC(c3ccccc3)C2)=C1
InChIInChI=1S/C60H46N8/c1-5-19-39(20-6-1)48-37-49(40-21-7-2-8-22-40)64-59(63-48)46-29-17-33-55(61-46)67-53-32-16-14-28-45(53)57-54(67)36-35-44-43-27-13-15-31-52(43)68(58(44)57)56-34-18-30-47(62-56)60-65-50(41-23-9-3-10-24-41)38-51(66-60)42-25-11-4-12-26-42/h1-7,9-21,23-32,34-36,38,48,55,60,65H,8,22,33,37H2
InChIKeyLSNSVBFJPOWSDZ-UHFFFAOYSA-N
XLogP13.58
TPSA84.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 513.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 166650856
1-[3-[9-(6-cyclohexa-2,4-dien-1-yl-2-pyridinyl)carbazol-1-yl]-5-phenylphenyl]-9-(6-phenyl-2,3-dihydropyridin-2-yl)carbazole
CID 71164637
5-cyclohexa-2,4-dien-1-yl-12-[6-(3-cyclohexa-1,5-dien-1-yl-5-phenylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 70912416
12-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9,10-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 129200006
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-[6-(5-cyclohepta-1,3,6-trien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-pyridinyl]-5-[6-(3,5-diphenylphenyl)-3-iodo-2,3-dihydropyridin-2-yl]indolo[3,2-c]carbazole
CID 88559484
4-chloro-6-cyclohexa-1,3-dien-1-yl-2-phenyl-4,5-dihydropyrimidine
CID 118363256
9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-24-(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130184122
2-[9-[4-(2,4-diphenyl-4,5-dihydropyrimidin-6-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160846516
4-cyclohexa-1,3-dien-1-yl-6-(4-cyclopropylcyclohexa-1,3-dien-1-yl)-2-phenyl-4,5-dihydropyrimidine
CID 155032932
7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-(7-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 137214924

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCCC(C2=NC(C3=NC(n4c5ccccc5c5c6c(ccc54)c4ccccc4n6-c4cccc(C5N=C(c6ccccc6)C=C(c6ccccc6)N5)n4)CC=C3)=NC(c3ccccc3)C2)=C1.
What is the InChIKey of 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?
The InChIKey is LSNSVBFJPOWSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N8/c1-5-19-39(20-6-1)48-37-49(40-21-7-2-8-22-40)64-59(63-48)46-29-17-33-55(61-46)67-53-32-16-14-28-45(53)57-54(67)36-35-44-43-27-13-15-31-52(43)68(58(44)57)56-34-18-30-47(62-56)60-65-50(41-23-9-3-10-24-41)38-51(66-60)42-25-11-4-12-26-42/h1-7,9-21,23-32,34-36,38,48,55,60,65H,8,22,33,37H2.
What are the key properties of 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?
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 has a molecular weight of 879.08 g/mol, XLogP of 13.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70912348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).