spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]

C35H21N — CID 135273802

IUPACspiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3[nH]c4ccccc4c3cc2-c2cccc3cccc1c23
InChIInChI=1S/C35H21N/c1-4-15-28-22(11-1)23-12-2-5-16-29(23)35(28)30-17-8-10-21-9-7-14-25(34(21)30)26-19-27-24-13-3-6-18-32(24)36-33(27)20-31(26)35/h1-20,36H
InChIKeyUUCVQPOJTODWTC-UHFFFAOYSA-N
MW455.56 g/mol
LogP8.82
Rot. Bonds

About spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]

spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene] (PubChem CID 135273802) has the molecular formula C35H21N and a molecular weight of 455.56 g/mol. Its IUPAC name is spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene].

Molecular Properties

Compound Namespiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]
PubChem CID135273802
Molecular FormulaC35H21N
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Namespiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3[nH]c4ccccc4c3cc2-c2cccc3cccc1c23
InChIInChI=1S/C35H21N/c1-4-15-28-22(11-1)23-12-2-5-16-29(23)35(28)30-17-8-10-21-9-7-14-25(34(21)30)26-19-27-24-13-3-6-18-32(24)36-33(27)20-31(26)35/h1-20,36H
InChIKeyUUCVQPOJTODWTC-UHFFFAOYSA-N
XLogP8.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 58.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene] with MolForge

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Related Compounds

spiro[5H-indeno[2,1-b]carbazole-7,9'-fluorene]
CID 66804950
spiro[5H-indeno[1,2-b]carbazole-11,9'-fluorene]
CID 67472219
spiro[12H-indeno[2,1-b]fluorene-10,7'-5H-indeno[2,1-b]carbazole]
CID 159125912
2'-[12-(4-naphthalen-1-ylphenyl)chrysen-6-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485109
15-oxa-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene
CID 135273941
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485119
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
11-phenyl-11-pyridin-2-yl-5H-indeno[1,2-b]carbazole
CID 135176930
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
spiro[benzo[a]phenalene-7,9'-fluorene]-10-ylboronic acid
CID 140780247
2'-[8-(4-phenylphenyl)-17-tricyclo[8.8.0.02,7]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485110

Frequently Asked Questions

What is the IUPAC name of spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]?
The IUPAC name of spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene] (CID 135273802) is spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene].
What is the SMILES notation for spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]?
The canonical SMILES for spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2cc3[nH]c4ccccc4c3cc2-c2cccc3cccc1c23.
What is the InChIKey of spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]?
The InChIKey is UUCVQPOJTODWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N/c1-4-15-28-22(11-1)23-12-2-5-16-29(23)35(28)30-17-8-10-21-9-7-14-25(34(21)30)26-19-27-24-13-3-6-18-32(24)36-33(27)20-31(26)35/h1-20,36H.
What are the key properties of spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene]?
spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene] has a molecular weight of 455.56 g/mol, XLogP of 8.82, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene-15,9'-fluorene] is sourced from PubChem (CID 135273802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).