5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]

C32H21Br — CID 134258504

IUPAC5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
SMILESCc1ccc2c(c1)C=Cc1ccc(Br)cc1C21c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C32H21Br/c1-20-10-15-28-24(16-20)12-11-21-13-14-25(33)19-30(21)32(28)29-9-5-4-8-26(29)27-17-22-6-2-3-7-23(22)18-31(27)32/h2-19H,1H3
InChIKeyWAXMCKDCOUSAQR-UHFFFAOYSA-N
MW485.42 g/mol
LogP8.76
Rot. Bonds

About 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]

5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] (PubChem CID 134258504) has the molecular formula C32H21Br and a molecular weight of 485.42 g/mol. Its IUPAC name is 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene].

Molecular Properties

Compound Name5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
PubChem CID134258504
Molecular FormulaC32H21Br
Molecular Weight485.42 g/mol
Exact Mass484.08
IUPAC Name5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
SMILESCc1ccc2c(c1)C=Cc1ccc(Br)cc1C21c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C32H21Br/c1-20-10-15-28-24(16-20)12-11-21-13-14-25(33)19-30(21)32(28)29-9-5-4-8-26(29)27-17-22-6-2-3-7-23(22)18-31(27)32/h2-19H,1H3
InChIKeyWAXMCKDCOUSAQR-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] with MolForge

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Related Compounds

spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
3'-methylspiro[9H-anthracene-10,11'-benzo[b]fluorene]
CID 142293757
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
2-(4-methylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
CID 134253394
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
11-bromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-thioxanthene];10'-bromospiro[benzo[b]thioxanthene-12,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromospiro[benzo[b]thioxanthene-12,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];10'-bromospiro[benzo[c]thioxanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 159010033
CID 58607554
CID 58607554
5'-bromo-14'-methylspiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene];5'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene];6'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene];5'-bromospiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene];6'-bromospiro[pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 159204847
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255

Frequently Asked Questions

What is the IUPAC name of 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The IUPAC name of 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] (CID 134258504) is 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene].
What is the SMILES notation for 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The canonical SMILES for 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] is Cc1ccc2c(c1)C=Cc1ccc(Br)cc1C21c2ccccc2-c2cc3ccccc3cc21.
What is the InChIKey of 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
The InChIKey is WAXMCKDCOUSAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Br/c1-20-10-15-28-24(16-20)12-11-21-13-14-25(33)19-30(21)32(28)29-9-5-4-8-26(29)27-17-22-6-2-3-7-23(22)18-31(27)32/h2-19H,1H3.
What are the key properties of 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]?
5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] has a molecular weight of 485.42 g/mol, XLogP of 8.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-13'-methylspiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene] is sourced from PubChem (CID 134258504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).