4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]

C38H23N — CID 148964555

IUPAC4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
SMILES[C-]#[N+]c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C38H23N/c1-39-26-23-21-25(22-24-26)27-16-10-20-36-37(27)32-15-6-9-19-35(32)38(36)33-17-7-4-13-30(33)28-11-2-3-12-29(28)31-14-5-8-18-34(31)38/h2-24H
InChIKeyPSLZOUNUTHMBLF-UHFFFAOYSA-N
MW493.61 g/mol
LogP9.91
Rot. Bonds1

About 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]

4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] (PubChem CID 148964555) has the molecular formula C38H23N and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene].

Molecular Properties

Compound Name4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
PubChem CID148964555
Molecular FormulaC38H23N
Molecular Weight493.61 g/mol
Exact Mass493.18
IUPAC Name4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
SMILES[C-]#[N+]c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C38H23N/c1-39-26-23-21-25(22-24-26)27-16-10-20-36-37(27)32-15-6-9-19-35(32)38(36)33-17-7-4-13-30(33)28-11-2-3-12-29(28)31-14-5-8-18-34(31)38/h2-24H
InChIKeyPSLZOUNUTHMBLF-UHFFFAOYSA-N
XLogP9.91
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] with MolForge

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Related Compounds

4-[4-(7'-isocyano-9,9'-spirobi[fluorene]-4'-yl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 162776169
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156524901
N-[9,9-bis(4-isocyanophenyl)fluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 140882673
2-(8-isocyanodibenzofuran-2-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-3-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine;2-(8-isocyanodibenzofuran-4-yl)-4-phenyl-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-1,3,5-triazine
CID 159850266
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
2-[4-[3-[4-(4-isocyanophenyl)phenyl]spiro[benzo[a]phenalene-7,9'-fluorene]-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158025405
N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
CID 129259026
2-[3-(6-isocyano-9,9'-spirobi[fluorene]-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 162776255

Frequently Asked Questions

What is the IUPAC name of 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]?
The IUPAC name of 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] (CID 148964555) is 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene].
What is the SMILES notation for 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]?
The canonical SMILES for 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] is [C-]#[N+]c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]?
The InChIKey is PSLZOUNUTHMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N/c1-39-26-23-21-25(22-24-26)27-16-10-20-36-37(27)32-15-6-9-19-35(32)38(36)33-17-7-4-13-30(33)28-11-2-3-12-29(28)31-14-5-8-18-34(31)38/h2-24H.
What are the key properties of 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]?
4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] has a molecular weight of 493.61 g/mol, XLogP of 9.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-isocyanophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] is sourced from PubChem (CID 148964555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).