spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]

C31H21N — CID 135233943

IUPACspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
SMILESC1=CC2c3ccccc3C3(c4ccccc4-n4c5ccccc5c5cccc3c54)C2C=C1
InChIInChI=1S/C31H21N/c1-4-14-24-20(10-1)21-11-2-5-15-25(21)31(24)26-16-6-8-19-29(26)32-28-18-7-3-12-22(28)23-13-9-17-27(31)30(23)32/h1-20,24H
InChIKeyUWFMKXVVCQBFKO-UHFFFAOYSA-N
MW407.52 g/mol
LogP7.27
Rot. Bonds

About spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]

spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene] (PubChem CID 135233943) has the molecular formula C31H21N and a molecular weight of 407.52 g/mol. Its IUPAC name is spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene].

Molecular Properties

Compound Namespiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
PubChem CID135233943
Molecular FormulaC31H21N
Molecular Weight407.52 g/mol
Exact Mass407.17
IUPAC Namespiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
SMILESC1=CC2c3ccccc3C3(c4ccccc4-n4c5ccccc5c5cccc3c54)C2C=C1
InChIInChI=1S/C31H21N/c1-4-14-24-20(10-1)21-11-2-5-15-25(21)31(24)26-16-6-8-19-29(26)32-28-18-7-3-12-22(28)23-13-9-17-27(31)30(23)32/h1-20,24H
InChIKeyUWFMKXVVCQBFKO-UHFFFAOYSA-N
XLogP7.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene] with MolForge

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Related Compounds

7'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]
CID 143269262
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
10'-naphthalen-1-yl-N-phenylspiro[4a,9a-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166958428
2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole
CID 144639698
(4R)-spiro[1-azaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.020,25]heptacosa-2(14),3(11),5,7,9,12,15,17,19(27),20,22,24-dodecaene-4,9'-4a,9a-dihydrofluorene]-26-one
CID 144908978
N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 70878231
2'-phenyl-4'-pyridin-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-4a,9b-dihydroindeno[1,2-d]pyrimidine]
CID 129089911
ethane;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 158101812
N-(9,9-diphenyl-4b,8a-dihydrofluoren-4-yl)-N-phenanthren-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168284
13,19-diazaundecacyclo[17.15.2.11,14.12,6.07,12.020,25.026,36.029,35.030,34.013,38.018,37]octatriaconta-2,4,6(38),7,9,11,14(37),15,17,20,22,24,26(36),27,29(35)-pentadecaene
CID 158278408
13,13-dimethyl-5-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70892880
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135140118

Frequently Asked Questions

What is the IUPAC name of spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]?
The IUPAC name of spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene] (CID 135233943) is spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene].
What is the SMILES notation for spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]?
The canonical SMILES for spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene] is C1=CC2c3ccccc3C3(c4ccccc4-n4c5ccccc5c5cccc3c54)C2C=C1.
What is the InChIKey of spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]?
The InChIKey is UWFMKXVVCQBFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N/c1-4-14-24-20(10-1)21-11-2-5-15-25(21)31(24)26-16-6-8-19-29(26)32-28-18-7-3-12-22(28)23-13-9-17-27(31)30(23)32/h1-20,24H.
What are the key properties of spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene]?
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene] has a molecular weight of 407.52 g/mol, XLogP of 7.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-4a,9a-dihydrofluorene] is sourced from PubChem (CID 135233943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).