3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]

C28H17Cl — CID 155372508

IUPAC3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]
SMILESClc1ccc2c(c1)-c1ccccc1C21C2=c3c(ccc4cccc1c34)=CC=CC2
InChIInChI=1S/C28H17Cl/c29-19-14-15-23-21(16-19)20-8-2-4-9-22(20)28(23)24-10-3-1-6-17-12-13-18-7-5-11-25(28)27(18)26(17)24/h1-9,11-16H,10H2
InChIKeyGMAQPOXVEMAJCZ-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.71
Rot. Bonds

About 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]

3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene] (PubChem CID 155372508) has the molecular formula C28H17Cl and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene].

Molecular Properties

Compound Name3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]
PubChem CID155372508
Molecular FormulaC28H17Cl
Molecular Weight388.90 g/mol
Exact Mass388.10
IUPAC Name3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]
SMILESClc1ccc2c(c1)-c1ccccc1C21C2=c3c(ccc4cccc1c34)=CC=CC2
InChIInChI=1S/C28H17Cl/c29-19-14-15-23-21(16-19)20-8-2-4-9-22(20)28(23)24-10-3-1-6-17-12-13-18-7-5-11-25(28)27(18)26(17)24/h1-9,11-16H,10H2
InChIKeyGMAQPOXVEMAJCZ-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene] with MolForge

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Related Compounds

3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
CID 102192841
CID 102192841
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 155407262
9-chlorospiro[benzo[a]phenalene-7,9'-thioxanthene]
CID 164794317
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 134298783
3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline
CID 153407538
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol
CID 145358393

Frequently Asked Questions

What is the IUPAC name of 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]?
The IUPAC name of 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene] (CID 155372508) is 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene].
What is the SMILES notation for 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]?
The canonical SMILES for 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene] is Clc1ccc2c(c1)-c1ccccc1C21C2=c3c(ccc4cccc1c34)=CC=CC2.
What is the InChIKey of 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]?
The InChIKey is GMAQPOXVEMAJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17Cl/c29-19-14-15-23-21(16-19)20-8-2-4-9-22(20)28(23)24-10-3-1-6-17-12-13-18-7-5-11-25(28)27(18)26(17)24/h1-9,11-16H,10H2.
What are the key properties of 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene]?
3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene] has a molecular weight of 388.90 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorospiro[fluorene-9,16'-tetracyclo[11.2.1.05,15.08,14]hexadeca-1,3,5(15),6,8,10,13-heptaene] is sourced from PubChem (CID 155372508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).