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

C35H23BrO — CID 130463591

IUPAC10-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
SMILESOC1(c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C35H23BrO/c36-24-20-21-34-31(22-24)28-14-4-3-13-27(28)30-16-6-8-19-33(30)35(34,37)32-18-7-5-15-29(32)26-17-9-11-23-10-1-2-12-25(23)26/h1-22,37H
InChIKeyVRWMQVNWZXLIDN-UHFFFAOYSA-N
MW539.47 g/mol
LogP9.20
Rot. Bonds2

About 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

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 (PubChem CID 130463591) has the molecular formula C35H23BrO and a molecular weight of 539.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID130463591
Molecular FormulaC35H23BrO
Molecular Weight539.47 g/mol
Exact Mass538.09
IUPAC Name10-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
SMILESOC1(c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C35H23BrO/c36-24-20-21-34-31(22-24)28-14-4-3-13-27(28)30-16-6-8-19-33(30)35(34,37)32-18-7-5-15-29(32)26-17-9-11-23-10-1-2-12-25(23)26/h1-22,37H
InChIKeyVRWMQVNWZXLIDN-UHFFFAOYSA-N
XLogP9.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.47
LogP ≤ 59.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
9-anthracen-9-ylfluoren-9-ol
CID 72942304
9-(2-naphthalen-1-ylphenyl)xanthen-9-ol
CID 118521018
8-bromo-3-naphthalen-1-ylfluoranthene
CID 139499164
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
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
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
9-bromo-7-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[a]phenalen-7-ol
CID 164970165
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
7-bromo-10,10-dimethyl-14,21-dinaphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 87380668
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OC1(c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2ccccc2-c2cc(Br)ccc21.
What is the InChIKey of 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?
The InChIKey is VRWMQVNWZXLIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23BrO/c36-24-20-21-34-31(22-24)28-14-4-3-13-27(28)30-16-6-8-19-33(30)35(34,37)32-18-7-5-15-29(32)26-17-9-11-23-10-1-2-12-25(23)26/h1-22,37H.
What are the key properties of 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?
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 has a molecular weight of 539.47 g/mol, XLogP of 9.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130463591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).