1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne

C93H67Br7O2 — CID 159840836

IUPAC1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)c3ccccc3c1-2.Brc1ccccc1-c1ccccc1.C.C.C.C#CC.O=C1c2cc(Br)ccc2-c2c1cc(Br)c1ccccc21.OC1(c2ccccc2-c2ccccc2)c2cc(Br)ccc2-c2c1cc(Br)c1ccccc21
InChIInChI=1S/C29H18Br2O.C29H16Br2.C17H8Br2O.C12H9Br.C3H4.3CH4/c30-19-14-15-23-25(16-19)29(32,24-13-7-6-10-20(24)18-8-2-1-3-9-18)26-17-27(31)21-11-4-5-12-22(21)28(23)26;30-17-13-14-22-25(15-17)29(26-16-27(31)20-9-1-2-10-21(20)28(22)26)23-11-5-3-7-18(23)19-8-4-6-12-24(19)29;18-9-5-6-12-13(7-9)17(20)14-8-15(19)10-3-1-2-4-11(10)16(12)14;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-2;;;/h1-17,32H;1-16H;1-8H;1-9H;1H,2H3;3*1H4
InChIKeyNOQQXHXUUMZBJK-UHFFFAOYSA-N
MW1775.88 g/mol
LogP29.24
Rot. Bonds3

About 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne

1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne (PubChem CID 159840836) has the molecular formula C93H67Br7O2 and a molecular weight of 1775.88 g/mol. Its IUPAC name is 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne.

Molecular Properties

Compound Name1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne
PubChem CID159840836
Molecular FormulaC93H67Br7O2
Molecular Weight1775.88 g/mol
Exact Mass1767.94
IUPAC Name1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)c3ccccc3c1-2.Brc1ccccc1-c1ccccc1.C.C.C.C#CC.O=C1c2cc(Br)ccc2-c2c1cc(Br)c1ccccc21.OC1(c2ccccc2-c2ccccc2)c2cc(Br)ccc2-c2c1cc(Br)c1ccccc21
InChIInChI=1S/C29H18Br2O.C29H16Br2.C17H8Br2O.C12H9Br.C3H4.3CH4/c30-19-14-15-23-25(16-19)29(32,24-13-7-6-10-20(24)18-8-2-1-3-9-18)26-17-27(31)21-11-4-5-12-22(21)28(23)26;30-17-13-14-22-25(15-17)29(26-16-27(31)20-9-1-2-10-21(20)28(22)26)23-11-5-3-7-18(23)19-8-4-6-12-24(19)29;18-9-5-6-12-13(7-9)17(20)14-8-15(19)10-3-1-2-4-11(10)16(12)14;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-2;;;/h1-17,32H;1-16H;1-8H;1-9H;1H,2H3;3*1H4
InChIKeyNOQQXHXUUMZBJK-UHFFFAOYSA-N
XLogP29.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001775.88
LogP ≤ 529.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne with MolForge

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Related Compounds

5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane
CID 158302770
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
1-bromo-2-phenylbenzene;ethane;hydron;14-(2-phenylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol;spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene];tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-one
CID 161247327
2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
CID 168791383
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
3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol
CID 142567776
1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane
CID 167608392
5,9-dibromo-12,12-dimethylindeno[1,2-a]fluoren-7-one
CID 126632998
2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
CID 164732104
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne?
The IUPAC name of 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne (CID 159840836) is 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne.
What is the SMILES notation for 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne?
The canonical SMILES for 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne is Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)c3ccccc3c1-2.Brc1ccccc1-c1ccccc1.C.C.C.C#CC.O=C1c2cc(Br)ccc2-c2c1cc(Br)c1ccccc21.OC1(c2ccccc2-c2ccccc2)c2cc(Br)ccc2-c2c1cc(Br)c1ccccc21.
What is the InChIKey of 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne?
The InChIKey is NOQQXHXUUMZBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18Br2O.C29H16Br2.C17H8Br2O.C12H9Br.C3H4.3CH4/c30-19-14-15-23-25(16-19)29(32,24-13-7-6-10-20(24)18-8-2-1-3-9-18)26-17-27(31)21-11-4-5-12-22(21)28(23)26;30-17-13-14-22-25(15-17)29(26-16-27(31)20-9-1-2-10-21(20)28(22)26)23-11-5-3-7-18(23)19-8-4-6-12-24(19)29;18-9-5-6-12-13(7-9)17(20)14-8-15(19)10-3-1-2-4-11(10)16(12)14;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-2;;;/h1-17,32H;1-16H;1-8H;1-9H;1H,2H3;3*1H4.
What are the key properties of 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne?
1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne has a molecular weight of 1775.88 g/mol, XLogP of 29.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne is sourced from PubChem (CID 159840836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).