3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole

C68H52N2O2 — CID 121285652

IUPAC3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole
SMILESC=C1/C=C\C(c2ccc3c(c2)c2cc(-c4ccc5c(c4)C4Oc6ccccc6C4N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccccc2)=C/CC2Oc3ccccc3C2C1(C)C
InChIInChI=1S/C68H52N2O2/c1-43-27-28-46(32-36-64-65(68(43,2)3)54-23-13-15-25-62(54)71-64)47-29-33-59-56(40-47)57-41-48(30-34-60(57)69(59)52-21-11-6-12-22-52)49-31-35-61-58(42-49)67-66(55-24-14-16-26-63(55)72-67)70(61)53-38-50(44-17-7-4-8-18-44)37-51(39-53)45-19-9-5-10-20-45/h4-35,37-42,64-67H,1,36H2,2-3H3/b28-27-,46-32+
InChIKeyVYSGPIRXORUHOD-GQNRNCRXSA-N
MW929.18 g/mol
LogP17.58
Rot. Bonds6

About 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole

3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole (PubChem CID 121285652) has the molecular formula C68H52N2O2 and a molecular weight of 929.18 g/mol. Its IUPAC name is 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole
PubChem CID121285652
Molecular FormulaC68H52N2O2
Molecular Weight929.18 g/mol
Exact Mass928.40
IUPAC Name3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole
SMILESC=C1/C=C\C(c2ccc3c(c2)c2cc(-c4ccc5c(c4)C4Oc6ccccc6C4N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccccc2)=C/CC2Oc3ccccc3C2C1(C)C
InChIInChI=1S/C68H52N2O2/c1-43-27-28-46(32-36-64-65(68(43,2)3)54-23-13-15-25-62(54)71-64)47-29-33-59-56(40-47)57-41-48(30-34-60(57)69(59)52-21-11-6-12-22-52)49-31-35-61-58(42-49)67-66(55-24-14-16-26-63(55)72-67)70(61)53-38-50(44-17-7-4-8-18-44)37-51(39-53)45-19-9-5-10-20-45/h4-35,37-42,64-67H,1,36H2,2-3H3/b28-27-,46-32+
InChIKeyVYSGPIRXORUHOD-GQNRNCRXSA-N
XLogP17.58
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.18
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole with MolForge

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Related Compounds

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-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole
CID 121285667
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
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
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
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole?
The IUPAC name of 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole (CID 121285652) is 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole is C=C1/C=C\C(c2ccc3c(c2)c2cc(-c4ccc5c(c4)C4Oc6ccccc6C4N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccccc2)=C/CC2Oc3ccccc3C2C1(C)C.
What is the InChIKey of 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole?
The InChIKey is VYSGPIRXORUHOD-GQNRNCRXSA-N. The full InChI is InChI=1S/C68H52N2O2/c1-43-27-28-46(32-36-64-65(68(43,2)3)54-23-13-15-25-62(54)71-64)47-29-33-59-56(40-47)57-41-48(30-34-60(57)69(59)52-21-11-6-12-22-52)49-31-35-61-58(42-49)67-66(55-24-14-16-26-63(55)72-67)70(61)53-38-50(44-17-7-4-8-18-44)37-51(39-53)45-19-9-5-10-20-45/h4-35,37-42,64-67H,1,36H2,2-3H3/b28-27-,46-32+.
What are the key properties of 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole?
3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole has a molecular weight of 929.18 g/mol, XLogP of 17.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(7E,9Z)-12,12-dimethyl-11-methylidene-6,12a-dihydro-5aH-cyclonona[b][1]benzofuran-8-yl]-9-phenylcarbazol-3-yl]-10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 121285652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).