(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

C38H23NO — CID 144908978

IUPAC(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
SMILESO=c1c2ccccc2c2cccc3c4ccc5c(c4n1c23)[C@@]1(c2ccccc2-5)c2ccccc2C2C=CC=CC21
InChIInChI=1S/C38H23NO/c40-37-30-14-2-1-10-22(30)27-15-9-16-28-29-21-20-26-25-13-5-8-19-33(25)38(34(26)36(29)39(37)35(27)28)31-17-6-3-11-23(31)24-12-4-7-18-32(24)38/h1-21,23,31H/t23?,31?,38-/m1/s1
InChIKeyVIRYNVJTMPFKTJ-FLUJOZAHSA-N
MW509.61 g/mol
LogP8.35
Rot. Bonds

About (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

(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 (PubChem CID 144908978) has the molecular formula C38H23NO and a molecular weight of 509.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144908978
Molecular FormulaC38H23NO
Molecular Weight509.61 g/mol
Exact Mass509.18
IUPAC Name(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
SMILESO=c1c2ccccc2c2cccc3c4ccc5c(c4n1c23)[C@@]1(c2ccccc2-5)c2ccccc2C2C=CC=CC21
InChIInChI=1S/C38H23NO/c40-37-30-14-2-1-10-22(30)27-15-9-16-28-29-21-20-26-25-13-5-8-19-33(25)38(34(26)36(29)39(37)35(27)28)31-17-6-3-11-23(31)24-12-4-7-18-32(24)38/h1-21,23,31H/t23?,31?,38-/m1/s1
InChIKeyVIRYNVJTMPFKTJ-FLUJOZAHSA-N
XLogP8.35
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

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
spiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one
CID 118343951
2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole
CID 144639698
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
[2'-(2-methylbenzoyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl]-(2-methylphenyl)methanone
CID 146649580
4,6-diphenyl-2-(10-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylphenanthren-9-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099607
4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline
CID 89177572
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 70878231
3-(3-carbazol-9-ylphenyl)-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-11-(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
CID 88905893
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine
CID 153201298
4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 129084757

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=c1c2ccccc2c2cccc3c4ccc5c(c4n1c23)[C@@]1(c2ccccc2-5)c2ccccc2C2C=CC=CC21.
What is the InChIKey of (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?
The InChIKey is VIRYNVJTMPFKTJ-FLUJOZAHSA-N. The full InChI is InChI=1S/C38H23NO/c40-37-30-14-2-1-10-22(30)27-15-9-16-28-29-21-20-26-25-13-5-8-19-33(25)38(34(26)36(29)39(37)35(27)28)31-17-6-3-11-23(31)24-12-4-7-18-32(24)38/h1-21,23,31H/t23?,31?,38-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 509.61 g/mol, XLogP of 8.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 144908978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).