14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one

C56H33NO — CID 90382455

IUPAC14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one
SMILESO=c1c2ccccc2c2cc3c(cc2n1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2)C1(c2ccccc2-c2ccccc21)c1ccccc1-3
InChIInChI=1S/C56H33NO/c58-55-46-25-8-7-21-41(46)49-32-48-45-24-11-14-28-52(45)56(50-26-12-9-22-43(50)44-23-10-13-27-51(44)56)53(48)33-54(49)57(55)34-29-30-42-39-19-4-3-17-37(39)35-15-1-2-16-36(35)38-18-5-6-20-40(38)47(42)31-34/h1-33H/b37-35-,38-36-,42-39-,47-40-
InChIKeyLKPKQXDWJBVRMO-MXORUXRUSA-N
MW735.89 g/mol
LogP13.47
Rot. Bonds1

About 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one

14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one (PubChem CID 90382455) has the molecular formula C56H33NO and a molecular weight of 735.89 g/mol. Its IUPAC name is 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one.

Molecular Properties

Compound Name14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one
PubChem CID90382455
Molecular FormulaC56H33NO
Molecular Weight735.89 g/mol
Exact Mass735.26
IUPAC Name14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one
SMILESO=c1c2ccccc2c2cc3c(cc2n1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2)C1(c2ccccc2-c2ccccc21)c1ccccc1-3
InChIInChI=1S/C56H33NO/c58-55-46-25-8-7-21-41(46)49-32-48-45-24-11-14-28-52(45)56(50-26-12-9-22-43(50)44-23-10-13-27-51(44)56)53(48)33-54(49)57(55)34-29-30-42-39-19-4-3-17-37(39)35-15-1-2-16-36(35)38-18-5-6-20-40(38)47(42)31-34/h1-33H/b37-35-,38-36-,42-39-,47-40-
InChIKeyLKPKQXDWJBVRMO-MXORUXRUSA-N
XLogP13.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one with MolForge

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Related Compounds

5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
CID 134551673
CID 134551673
10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598837
3-(9-phenylcarbazol-3-yl)-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
CID 122491465
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
CID 134551753
CID 134551753
CID 134551686
CID 134551686
12-naphthalen-2-ylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
CID 134555374
CID 134551803
CID 134551803
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
3-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
CID 156568728

Frequently Asked Questions

What is the IUPAC name of 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one?
The IUPAC name of 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one (CID 90382455) is 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one.
What is the SMILES notation for 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one?
The canonical SMILES for 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one is O=c1c2ccccc2c2cc3c(cc2n1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2)C1(c2ccccc2-c2ccccc21)c1ccccc1-3.
What is the InChIKey of 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one?
The InChIKey is LKPKQXDWJBVRMO-MXORUXRUSA-N. The full InChI is InChI=1S/C56H33NO/c58-55-46-25-8-7-21-41(46)49-32-48-45-24-11-14-28-52(45)56(50-26-12-9-22-43(50)44-23-10-13-27-51(44)56)53(48)33-54(49)57(55)34-29-30-42-39-19-4-3-17-37(39)35-15-1-2-16-36(35)38-18-5-6-20-40(38)47(42)31-34/h1-33H/b37-35-,38-36-,42-39-,47-40-.
What are the key properties of 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one?
14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one has a molecular weight of 735.89 g/mol, XLogP of 13.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-tetraphenylen-2-ylspiro[14-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaene-10,9'-fluorene]-15-one is sourced from PubChem (CID 90382455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).