9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene

C28H32 — CID 605597

IUPAC9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene
SMILESc1ccc2c(c1)C(C1C3CCCCC31)c1ccccc1C2C1C2CCCCC21
InChIInChI=1S/C28H32/c1-2-10-18-17(9-1)25(27-21-13-5-6-14-22(21)27)19-11-3-4-12-20(19)26(18)28-23-15-7-8-16-24(23)28/h1-4,9-12,21-28H,5-8,13-16H2
InChIKeyGNFJKEZFJPZUEG-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.14
Rot. Bonds2

About 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene

9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene (PubChem CID 605597) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene.

Molecular Properties

Compound Name9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene
PubChem CID605597
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene
SMILESc1ccc2c(c1)C(C1C3CCCCC31)c1ccccc1C2C1C2CCCCC21
InChIInChI=1S/C28H32/c1-2-10-18-17(9-1)25(27-21-13-5-6-14-22(21)27)19-11-3-4-12-20(19)26(18)28-23-15-7-8-16-24(23)28/h1-4,9-12,21-28H,5-8,13-16H2
InChIKeyGNFJKEZFJPZUEG-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 95564439
(12R,13R,18R,19S)-decacyclo[18.6.6.64,11.02,19.03,12.05,10.013,18.021,26.027,32.033,38]octatriaconta-2,5,7,9,21,23,25,27,29,31,33,35,37-tridecaene
CID 98159522
(12S,13R,18R,19S)-decacyclo[18.6.6.64,11.02,19.03,12.05,10.013,18.021,26.027,32.033,38]octatriaconta-2,5,7,9,21,23,25,27,29,31,33,35,37-tridecaene
CID 124909591
(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene
CID 98514230
(2S,3S,10S,11S)-25-oxaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4,6,8,13,15,17,19,21,23-nonaene
CID 98140953
(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene
CID 10243706
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854212
N-propyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
CID 54476051
2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-4,6,8,22,24,26-hexaene;manganese(2+)
CID 134067824

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene?
The IUPAC name of 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene (CID 605597) is 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene.
What is the SMILES notation for 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene?
The canonical SMILES for 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene is c1ccc2c(c1)C(C1C3CCCCC31)c1ccccc1C2C1C2CCCCC21.
What is the InChIKey of 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene?
The InChIKey is GNFJKEZFJPZUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32/c1-2-10-18-17(9-1)25(27-21-13-5-6-14-22(21)27)19-11-3-4-12-20(19)26(18)28-23-15-7-8-16-24(23)28/h1-4,9-12,21-28H,5-8,13-16H2.
What are the key properties of 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene?
9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene has a molecular weight of 368.56 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene is sourced from PubChem (CID 605597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).