4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine

C46H31NO — CID 142293409

IUPAC4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)NC1c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1c-2ccc2ccccc12
InChIInChI=1S/C46H31NO/c1-3-13-30(14-4-1)34-28-41(32-16-5-2-6-17-32)47-42(29-34)33-24-25-36-37-26-23-31-15-7-8-18-35(31)45(37)46(40(36)27-33)38-19-9-11-21-43(38)48-44-22-12-10-20-39(44)46/h1-29,42,47H
InChIKeyBCAAOQFOZYJUHJ-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.08
Rot. Bonds3

About 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine

4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine (PubChem CID 142293409) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine
PubChem CID142293409
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)NC1c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1c-2ccc2ccccc12
InChIInChI=1S/C46H31NO/c1-3-13-30(14-4-1)34-28-41(32-16-5-2-6-17-32)47-42(29-34)33-24-25-36-37-26-23-31-15-7-8-18-35(31)45(37)46(40(36)27-33)38-19-9-11-21-43(38)48-44-22-12-10-20-39(44)46/h1-29,42,47H
InChIKeyBCAAOQFOZYJUHJ-UHFFFAOYSA-N
XLogP11.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170020995
4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
CID 134304744
12-spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126719
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015285
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
CID 164730871
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
4,6-diphenyl-2-(4-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]-18-ylphenyl)-1,2-dihydropyrimidine
CID 134305269
9-[3-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163040
2'-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 170031817

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine?
The IUPAC name of 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine (CID 142293409) is 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine.
What is the SMILES notation for 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine?
The canonical SMILES for 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine is C1=C(c2ccccc2)C=C(c2ccccc2)NC1c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1c-2ccc2ccccc12.
What is the InChIKey of 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine?
The InChIKey is BCAAOQFOZYJUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-13-30(14-4-1)34-28-41(32-16-5-2-6-17-32)47-42(29-34)33-24-25-36-37-26-23-31-15-7-8-18-35(31)45(37)46(40(36)27-33)38-19-9-11-21-43(38)48-44-22-12-10-20-39(44)46/h1-29,42,47H.
What are the key properties of 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine?
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine has a molecular weight of 613.76 g/mol, XLogP of 11.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine is sourced from PubChem (CID 142293409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).