8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline

C46H29N — CID 167177391

IUPAC8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
SMILESc1cc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C46H29N/c1-4-18-41-37(14-1)38-15-2-5-19-42(38)46(41)43-20-6-3-16-39(43)40-29-35(25-26-44(40)46)34-12-7-11-33(28-34)30-21-23-31(24-22-30)36-17-8-10-32-13-9-27-47-45(32)36/h1-29H
InChIKeyHBMLUQPFFOCZHR-UHFFFAOYSA-N
MW595.75 g/mol
LogP11.58
Rot. Bonds3

About 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline

8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline (PubChem CID 167177391) has the molecular formula C46H29N and a molecular weight of 595.75 g/mol. Its IUPAC name is 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
PubChem CID167177391
Molecular FormulaC46H29N
Molecular Weight595.75 g/mol
Exact Mass595.23
IUPAC Name8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
SMILESc1cc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C46H29N/c1-4-18-41-37(14-1)38-15-2-5-19-42(38)46(41)43-20-6-3-16-39(43)40-29-35(25-26-44(40)46)34-12-7-11-33(28-34)30-21-23-31(24-22-30)36-17-8-10-32-13-9-27-47-45(32)36/h1-29H
InChIKeyHBMLUQPFFOCZHR-UHFFFAOYSA-N
XLogP11.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
8-[4-[3-[(13S)-1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl]phenyl]phenyl]quinoline
CID 145303095
8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylphenyl)quinoline
CID 148574342
8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)quinoline
CID 153483758
8-[4-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]quinoline
CID 146547263
8-[4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline;8-[4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]quinoline
CID 158679328
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648566
8-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]quinoline;8-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-3-yl]quinoline
CID 164954461
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547205

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline?
The IUPAC name of 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline (CID 167177391) is 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline?
The canonical SMILES for 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline is c1cc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline?
The InChIKey is HBMLUQPFFOCZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N/c1-4-18-41-37(14-1)38-15-2-5-19-42(38)46(41)43-20-6-3-16-39(43)40-29-35(25-26-44(40)46)34-12-7-11-33(28-34)30-21-23-31(24-22-30)36-17-8-10-32-13-9-27-47-45(32)36/h1-29H.
What are the key properties of 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline?
8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline has a molecular weight of 595.75 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline is sourced from PubChem (CID 167177391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).