11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol

C39H25BrO — CID 130463599

IUPAC11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
SMILESOC1(c2ccccc2-c2cc3ccccc3c3ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C39H25BrO/c40-26-21-22-34-30-15-5-4-14-29(30)32-17-7-9-19-36(32)39(41,38(34)24-26)37-20-10-8-18-33(37)35-23-25-11-1-2-12-27(25)28-13-3-6-16-31(28)35/h1-24,41H
InChIKeyOSONRPRXTDATGU-UHFFFAOYSA-N
MW589.53 g/mol
LogP10.35
Rot. Bonds2

About 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol

11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol (PubChem CID 130463599) has the molecular formula C39H25BrO and a molecular weight of 589.53 g/mol. Its IUPAC name is 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol.

Molecular Properties

Compound Name11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
PubChem CID130463599
Molecular FormulaC39H25BrO
Molecular Weight589.53 g/mol
Exact Mass588.11
IUPAC Name11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
SMILESOC1(c2ccccc2-c2cc3ccccc3c3ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C39H25BrO/c40-26-21-22-34-30-15-5-4-14-29(30)32-17-7-9-19-36(32)39(41,38(34)24-26)37-20-10-8-18-33(37)35-23-25-11-1-2-12-27(25)28-13-3-6-16-31(28)35/h1-24,41H
InChIKeyOSONRPRXTDATGU-UHFFFAOYSA-N
XLogP10.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.53
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol with MolForge

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Related Compounds

10-bromo-14-(2-naphthalen-1-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463591
11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463559
9-[2-(1-benzofuran-2-yl)phenyl]-2-bromofluoren-9-ol
CID 134529564
2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
CID 164732104
11-bromo-14-(2-dibenzofuran-3-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463554
9-anthracen-9-ylfluoren-9-ol
CID 72942304
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
9-bromo-7-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[a]phenalen-7-ol
CID 164970165
5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
9-[2-(3-bromophenyl)phenyl]phenanthrene
CID 144984920
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820

Frequently Asked Questions

What is the IUPAC name of 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol?
The IUPAC name of 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol (CID 130463599) is 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol.
What is the SMILES notation for 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol?
The canonical SMILES for 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol is OC1(c2ccccc2-c2cc3ccccc3c3ccccc23)c2ccccc2-c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol?
The InChIKey is OSONRPRXTDATGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25BrO/c40-26-21-22-34-30-15-5-4-14-29(30)32-17-7-9-19-36(32)39(41,38(34)24-26)37-20-10-8-18-33(37)35-23-25-11-1-2-12-27(25)28-13-3-6-16-31(28)35/h1-24,41H.
What are the key properties of 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol?
11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol has a molecular weight of 589.53 g/mol, XLogP of 10.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-14-(2-phenanthren-9-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol is sourced from PubChem (CID 130463599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).