1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine

C127H77N3O3 — CID 158360414

IUPAC1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3cccc4c3-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccccc3n2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)nc1.c1ccc(-c2ccc(-n3c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c4oc4ccccc54)cc4ccccc43)cc2)cc1
InChIInChI=1S/C47H29NO.C42H25NO.C38H23NO/c1-2-12-30(13-3-1)31-22-25-34(26-23-31)48-42-20-10-4-14-32(42)29-43(48)33-24-27-41-38(28-33)35-15-5-8-18-39(35)47(41)40-19-9-6-16-36(40)45-37-17-7-11-21-44(37)49-46(45)47;1-2-13-26(14-3-1)37-25-32(29-17-6-10-23-36(29)43-37)30-19-12-22-35-39(30)40-31-18-7-11-24-38(31)44-41(40)42(35)33-20-8-4-15-27(33)28-16-5-9-21-34(28)42;1-4-12-31-27(9-1)28-10-2-5-13-32(28)38(31)33-21-20-26(24-16-18-25(19-17-24)34-14-7-8-22-39-34)23-30(33)36-29-11-3-6-15-35(29)40-37(36)38/h1-29H;1-25H;1-23H
InChIKeyGTJZZTIWHXVZPP-UHFFFAOYSA-N
MW1693.03 g/mol
LogP32.22
Rot. Bonds7

About 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine

1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine (PubChem CID 158360414) has the molecular formula C127H77N3O3 and a molecular weight of 1693.03 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
PubChem CID158360414
Molecular FormulaC127H77N3O3
Molecular Weight1693.03 g/mol
Exact Mass1691.60
IUPAC Name1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
SMILESc1ccc(-c2cc(-c3cccc4c3-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccccc3n2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)nc1.c1ccc(-c2ccc(-n3c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c4oc4ccccc54)cc4ccccc43)cc2)cc1
InChIInChI=1S/C47H29NO.C42H25NO.C38H23NO/c1-2-12-30(13-3-1)31-22-25-34(26-23-31)48-42-20-10-4-14-32(42)29-43(48)33-24-27-41-38(28-33)35-15-5-8-18-39(35)47(41)40-19-9-6-16-36(40)45-37-17-7-11-21-44(37)49-46(45)47;1-2-13-26(14-3-1)37-25-32(29-17-6-10-23-36(29)43-37)30-19-12-22-35-39(30)40-31-18-7-11-24-38(31)44-41(40)42(35)33-20-8-4-15-27(33)28-16-5-9-21-34(28)42;1-4-12-31-27(9-1)28-10-2-5-13-32(28)38(31)33-21-20-26(24-16-18-25(19-17-24)34-14-7-8-22-39-34)23-30(33)36-29-11-3-6-15-35(29)40-37(36)38/h1-29H;1-25H;1-23H
InChIKeyGTJZZTIWHXVZPP-UHFFFAOYSA-N
XLogP32.22
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001693.03
LogP ≤ 532.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine with MolForge

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Related Compounds

2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine
CID 134529300
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylpyrimidine
CID 161342910
2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 134529276
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine
CID 159409707
2,4-diphenyl-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-ylphenyl)pyrimidine
CID 129264561
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine
CID 134529254
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine
CID 134529244
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine
CID 134529213
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine;2,4-dinaphthalen-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-yl-1,3,5-triazine;2,4-dipyridin-2-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 159159441
3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 142481462
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 167177433
4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylpyrimidine
CID 159671779

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine?
The IUPAC name of 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine (CID 158360414) is 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine.
What is the SMILES notation for 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine?
The canonical SMILES for 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine is c1ccc(-c2cc(-c3cccc4c3-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)c3ccccc3n2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)nc1.c1ccc(-c2ccc(-n3c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c4oc4ccccc54)cc4ccccc43)cc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine?
The InChIKey is GTJZZTIWHXVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO.C42H25NO.C38H23NO/c1-2-12-30(13-3-1)31-22-25-34(26-23-31)48-42-20-10-4-14-32(42)29-43(48)33-24-27-41-38(28-33)35-15-5-8-18-39(35)47(41)40-19-9-6-16-36(40)45-37-17-7-11-21-44(37)49-46(45)47;1-2-13-26(14-3-1)37-25-32(29-17-6-10-23-36(29)43-37)30-19-12-22-35-39(30)40-31-18-7-11-24-38(31)44-41(40)42(35)33-20-8-4-15-27(33)28-16-5-9-21-34(28)42;1-4-12-31-27(9-1)28-10-2-5-13-32(28)38(31)33-21-20-26(24-16-18-25(19-17-24)34-14-7-8-22-39-34)23-30(33)36-29-11-3-6-15-35(29)40-37(36)38/h1-29H;1-25H;1-23H.
What are the key properties of 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine?
1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine has a molecular weight of 1693.03 g/mol, XLogP of 32.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-ylindole;2-phenyl-4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylquinoline;2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-ylphenyl)pyridine is sourced from PubChem (CID 158360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).