26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

C49H27NO — CID 154692291

IUPAC26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)ccc21
InChIInChI=1S/C49H27NO/c1-2-12-30-29(11-1)34-16-9-21-41-45(34)47-42(25-26-44-48(47)46-35(30)17-10-22-43(46)51-44)50(41)28-23-24-40-36(27-28)33-15-5-8-20-39(33)49(40)37-18-6-3-13-31(37)32-14-4-7-19-38(32)49/h1-27H/b34-29-,35-30-
InChIKeyPBVBVNUYYAGLNJ-WLCHJYNASA-N
MW645.76 g/mol
LogP12.77
Rot. Bonds1

About 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (PubChem CID 154692291) has the molecular formula C49H27NO and a molecular weight of 645.76 g/mol. Its IUPAC name is 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.

Molecular Properties

Compound Name26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
PubChem CID154692291
Molecular FormulaC49H27NO
Molecular Weight645.76 g/mol
Exact Mass645.21
IUPAC Name26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)ccc21
InChIInChI=1S/C49H27NO/c1-2-12-30-29(11-1)34-16-9-21-41-45(34)47-42(25-26-44-48(47)46-35(30)17-10-22-43(46)51-44)50(41)28-23-24-40-36(27-28)33-15-5-8-20-39(33)49(40)37-18-6-3-13-31(37)32-14-4-7-19-38(32)49/h1-27H/b34-29-,35-30-
InChIKeyPBVBVNUYYAGLNJ-WLCHJYNASA-N
XLogP12.77
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.76
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene with MolForge

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Related Compounds

26-[4-(2-phenylphenyl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 154692426
9,9-dimethyl-N-[4-(25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-26-yl)phenyl]-N-phenylfluoren-2-amine
CID 163811679
26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 166023592
9-[5'-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 169060638
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613
spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]
CID 166096305
CID 134551686
CID 134551686
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
CID 134551634
CID 134551634
14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 67952738
9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;9-(9,9'-spirobi[fluorene]-3-yl)carbazole;2-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran;2-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene
CID 158488160

Frequently Asked Questions

What is the IUPAC name of 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The IUPAC name of 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (CID 154692291) is 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.
What is the SMILES notation for 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The canonical SMILES for 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4cccc5c6ccccc6c6cccc7oc8ccc3c(c8c76)c54)ccc21.
What is the InChIKey of 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
The InChIKey is PBVBVNUYYAGLNJ-WLCHJYNASA-N. The full InChI is InChI=1S/C49H27NO/c1-2-12-30-29(11-1)34-16-9-21-41-45(34)47-42(25-26-44-48(47)46-35(30)17-10-22-43(46)51-44)50(41)28-23-24-40-36(27-28)33-15-5-8-20-39(33)49(40)37-18-6-3-13-31(37)32-14-4-7-19-38(32)49/h1-27H/b34-29-,35-30-.
What are the key properties of 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?
26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene has a molecular weight of 645.76 g/mol, XLogP of 12.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is sourced from PubChem (CID 154692291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).