2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione

C47H27N3O2 — CID 166096625

IUPAC2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione
SMILESO=c1c2c(n3c4ccccc4c(=O)n13)C1(c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc31)c1ccccc1-2
InChIInChI=1S/C47H27N3O2/c51-45-35-17-7-11-21-42(35)49-44-43(46(52)50(45)49)34-16-5-9-19-38(34)47(44)37-18-8-4-14-31(37)32-24-23-30(27-39(32)47)48-40-20-10-6-15-33(40)36-26-29(22-25-41(36)48)28-12-2-1-3-13-28/h1-27H
InChIKeyYJCAOEPNATZOPV-UHFFFAOYSA-N
MW665.75 g/mol
LogP9.46
Rot. Bonds2

About 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione

2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione (PubChem CID 166096625) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione.

Molecular Properties

Compound Name2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione
PubChem CID166096625
Molecular FormulaC47H27N3O2
Molecular Weight665.75 g/mol
Exact Mass665.21
IUPAC Name2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione
SMILESO=c1c2c(n3c4ccccc4c(=O)n13)C1(c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc31)c1ccccc1-2
InChIInChI=1S/C47H27N3O2/c51-45-35-17-7-11-21-42(35)49-44-43(46(52)50(45)49)34-16-5-9-19-38(34)47(44)37-18-8-4-14-31(37)32-24-23-30(27-39(32)47)48-40-20-10-6-15-33(40)36-26-29(22-25-41(36)48)28-12-2-1-3-13-28/h1-27H
InChIKeyYJCAOEPNATZOPV-UHFFFAOYSA-N
XLogP9.46
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.75
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione with MolForge

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Related Compounds

3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-(9-phenylcarbazol-3-yl)-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
CID 122491465
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[10-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-4'-yl]triphenylen-2-yl]carbazole
CID 134440451
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 159140546
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021

Frequently Asked Questions

What is the IUPAC name of 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione?
The IUPAC name of 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione (CID 166096625) is 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione.
What is the SMILES notation for 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione?
The canonical SMILES for 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione is O=c1c2c(n3c4ccccc4c(=O)n13)C1(c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)cc31)c1ccccc1-2.
What is the InChIKey of 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione?
The InChIKey is YJCAOEPNATZOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c51-45-35-17-7-11-21-42(35)49-44-43(46(52)50(45)49)34-16-5-9-19-38(34)47(44)37-18-8-4-14-31(37)32-24-23-30(27-39(32)47)48-40-20-10-6-15-33(40)36-26-29(22-25-41(36)48)28-12-2-1-3-13-28/h1-27H.
What are the key properties of 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione?
2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione has a molecular weight of 665.75 g/mol, XLogP of 9.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(3-phenylcarbazol-9-yl)spiro[2,10-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,13,15,17-heptaene-19,9'-fluorene]-9,11-dione is sourced from PubChem (CID 166096625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).