3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole

C78H57N7 — CID 165043045

IUPAC3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESCC1C=CC(c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-c4cccc(C6=NC(n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)NC(c7ccccc7)=C6)c4)cc3n5-c3ccccc3)n2)=CC1
InChIInChI=1S/C78H57N7/c1-48-34-36-51(37-35-48)68-46-66(49-20-7-4-8-21-49)79-76(81-68)84-71-33-18-15-30-58(71)62-43-73-63(44-74(62)84)59-39-38-53(41-72(59)83(73)55-26-11-6-12-27-55)52-24-19-25-54(40-52)69-47-67(50-22-9-5-10-23-50)80-77(82-69)85-70-32-17-14-29-57(70)61-42-60-56-28-13-16-31-64(56)78(2,3)65(60)45-75(61)85/h4-34,36-48,77,80H,35H2,1-3H3
InChIKeyOLHSFRIGHLLCAB-UHFFFAOYSA-N
MW1092.36 g/mol
LogP18.99
Rot. Bonds8

About 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole

3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 165043045) has the molecular formula C78H57N7 and a molecular weight of 1092.36 g/mol. Its IUPAC name is 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
PubChem CID165043045
Molecular FormulaC78H57N7
Molecular Weight1092.36 g/mol
Exact Mass1091.47
IUPAC Name3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESCC1C=CC(c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-c4cccc(C6=NC(n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)NC(c7ccccc7)=C6)c4)cc3n5-c3ccccc3)n2)=CC1
InChIInChI=1S/C78H57N7/c1-48-34-36-51(37-35-48)68-46-66(49-20-7-4-8-21-49)79-76(81-68)84-71-33-18-15-30-58(71)62-43-73-63(44-74(62)84)59-39-38-53(41-72(59)83(73)55-26-11-6-12-27-55)52-24-19-25-54(40-52)69-47-67(50-22-9-5-10-23-50)80-77(82-69)85-70-32-17-14-29-57(70)61-42-60-56-28-13-16-31-64(56)78(2,3)65(60)45-75(61)85/h4-34,36-48,77,80H,35H2,1-3H3
InChIKeyOLHSFRIGHLLCAB-UHFFFAOYSA-N
XLogP18.99
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001092.36
LogP ≤ 518.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957
3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 135303497
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
22-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-26,26-dimethyl-22-azaundecacyclo[23.19.0.03,23.04,21.06,19.07,12.013,18.027,44.029,42.030,35.036,41]tetratetraconta-1(25),2,4(21),5,7,9,11,13,15,17,19,23,27(44),28,30,32,34,36,38,40,42-henicosaene
CID 121478088
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
2-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 159355535
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole (CID 165043045) is 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole is CC1C=CC(c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-c4cccc(C6=NC(n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)NC(c7ccccc7)=C6)c4)cc3n5-c3ccccc3)n2)=CC1.
What is the InChIKey of 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is OLHSFRIGHLLCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H57N7/c1-48-34-36-51(37-35-48)68-46-66(49-20-7-4-8-21-49)79-76(81-68)84-71-33-18-15-30-58(71)62-43-73-63(44-74(62)84)59-39-38-53(41-72(59)83(73)55-26-11-6-12-27-55)52-24-19-25-54(40-52)69-47-67(50-22-9-5-10-23-50)80-77(82-69)85-70-32-17-14-29-57(70)61-42-60-56-28-13-16-31-64(56)78(2,3)65(60)45-75(61)85/h4-34,36-48,77,80H,35H2,1-3H3.
What are the key properties of 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole?
3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 1092.36 g/mol, XLogP of 18.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,2-dihydropyrimidin-4-yl]phenyl]-11-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 165043045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).