8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole

C68H52N4O — CID 121298718

IUPAC8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2C2Oc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6C(c8ccccc8C6(C)C)N7c6nc(-c7ccccc7)cc(-c7ccccc7)n6)ccc4n5-c4ccccc4)cc3C21
InChIInChI=1S/C68H52N4O/c1-67(2)54-26-16-14-24-48(54)64-62(67)52-38-45(30-34-60(52)72(64)66-69-56(41-18-8-5-9-19-41)40-57(70-66)42-20-10-6-11-21-42)43-28-32-58-50(36-43)51-37-44(29-33-59(51)71(58)47-22-12-7-13-23-47)46-31-35-61-53(39-46)63-65(73-61)49-25-15-17-27-55(49)68(63,3)4/h5-40,62-65H,1-4H3
InChIKeyPMRHNLSKKHNAKA-UHFFFAOYSA-N
MW941.19 g/mol
LogP17.02
Rot. Bonds6

About 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole

8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole (PubChem CID 121298718) has the molecular formula C68H52N4O and a molecular weight of 941.19 g/mol. Its IUPAC name is 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole.

Molecular Properties

Compound Name8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole
PubChem CID121298718
Molecular FormulaC68H52N4O
Molecular Weight941.19 g/mol
Exact Mass940.41
IUPAC Name8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2C2Oc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6C(c8ccccc8C6(C)C)N7c6nc(-c7ccccc7)cc(-c7ccccc7)n6)ccc4n5-c4ccccc4)cc3C21
InChIInChI=1S/C68H52N4O/c1-67(2)54-26-16-14-24-48(54)64-62(67)52-38-45(30-34-60(52)72(64)66-69-56(41-18-8-5-9-19-41)40-57(70-66)42-20-10-6-11-21-42)43-28-32-58-50(36-43)51-37-44(29-33-59(51)71(58)47-22-12-7-13-23-47)46-31-35-61-53(39-46)63-65(73-61)49-25-15-17-27-55(49)68(63,3)4/h5-40,62-65H,1-4H3
InChIKeyPMRHNLSKKHNAKA-UHFFFAOYSA-N
XLogP17.02
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole with MolForge

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Related Compounds

3-[8-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]dibenzothiophen-2-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 121287789
N-[4-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 137397109
3-[6-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-3-yl)-9-phenylcarbazol-3-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4b,9b-dihydroindolo[3,2-b]indole
CID 121287021
8-[6-[10-(3,5-diphenylphenyl)-5-phenyl-4b,9b-dihydroindolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzofuro[3,2-b]indole
CID 121285559
3-[6-(10,10-dimethyl-5-phenyl-4b,9b-dihydroindeno[1,2-b]indol-3-yl)-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-5-phenyl-4b,9b-dihydroindolo[3,2-b]indole;bis(3-[8-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-3-yl)dibenzothiophen-2-yl]-10-(3,5-diphenylphenyl)-5-phenyl-4b,9b-dihydroindolo[3,2-b]indole);8-[6-[10-(3,5-diphenylphenyl)-5-phenyl-4b,9b-dihydroindolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzofuro[3,2-b]indole;5-(3,5-diphenylphenyl)-8-[6-(5-phenyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-8-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-9b,10-dihydro-4bH-indeno[1,2-b]indole;5-(3,5-diphenylphenyl)-8-[9-phenyl-6-(5-phenyl-9b,10-dihydro-4bH-indeno[1,2-b]indol-8-yl)carbazol-3-yl]-9b,10-dihydro-4bH-indeno[1,2-b]indole
CID 158482529
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine
CID 67472194
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957

Frequently Asked Questions

What is the IUPAC name of 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole?
The IUPAC name of 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole (CID 121298718) is 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole.
What is the SMILES notation for 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole?
The canonical SMILES for 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole is CC1(C)c2ccccc2C2Oc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6C(c8ccccc8C6(C)C)N7c6nc(-c7ccccc7)cc(-c7ccccc7)n6)ccc4n5-c4ccccc4)cc3C21.
What is the InChIKey of 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole?
The InChIKey is PMRHNLSKKHNAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N4O/c1-67(2)54-26-16-14-24-48(54)64-62(67)52-38-45(30-34-60(52)72(64)66-69-56(41-18-8-5-9-19-41)40-57(70-66)42-20-10-6-11-21-42)43-28-32-58-50(36-43)51-37-44(29-33-59(51)71(58)47-22-12-7-13-23-47)46-31-35-61-53(39-46)63-65(73-61)49-25-15-17-27-55(49)68(63,3)4/h5-40,62-65H,1-4H3.
What are the key properties of 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole?
8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole has a molecular weight of 941.19 g/mol, XLogP of 17.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzofuran-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-10,10-dimethyl-4b,9b-dihydroindeno[1,2-b]indole is sourced from PubChem (CID 121298718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).