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

C111H118BrO2+ — CID 161247327

IUPAC1-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
SMILESBrc1ccccc1-c1ccccc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=c1c2ccccc2c2ccccc2c2ccccc12.OC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21.[H+].c1ccc2c(c1)-c1ccccc1C1(c3ccccc3-2)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H22O.C31H20.C19H12O.C12H9Br.9C2H6/c32-31(28-19-9-6-14-23(28)22-12-2-1-3-13-22)29-20-10-7-17-26(29)24-15-4-5-16-25(24)27-18-8-11-21-30(27)31;1-2-12-22-21(11-1)23-13-3-7-17-27(23)31(28-18-8-4-14-24(22)28)29-19-9-5-15-25(29)26-16-6-10-20-30(26)31;20-19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)19;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;9*1-2/h1-21,32H;1-20H;1-12H;1-9H;9*1-2H3/p+1
InChIKeyVAURBULNBXFQAL-UHFFFAOYSA-O
MW1564.07 g/mol
LogP32.95
Rot. Bonds3

About 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

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 (PubChem CID 161247327) has the molecular formula C111H118BrO2+ and a molecular weight of 1564.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID161247327
Molecular FormulaC111H118BrO2+
Molecular Weight1564.07 g/mol
Exact Mass1561.83
IUPAC Name1-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
SMILESBrc1ccccc1-c1ccccc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=c1c2ccccc2c2ccccc2c2ccccc12.OC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21.[H+].c1ccc2c(c1)-c1ccccc1C1(c3ccccc3-2)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H22O.C31H20.C19H12O.C12H9Br.9C2H6/c32-31(28-19-9-6-14-23(28)22-12-2-1-3-13-22)29-20-10-7-17-26(29)24-15-4-5-16-25(24)27-18-8-11-21-30(27)31;1-2-12-22-21(11-1)23-13-3-7-17-27(23)31(28-18-8-4-14-24(22)28)29-19-9-5-15-25(29)26-16-6-10-20-30(26)31;20-19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)19;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;9*1-2/h1-21,32H;1-20H;1-12H;1-9H;9*1-2H3/p+1
InChIKeyVAURBULNBXFQAL-UHFFFAOYSA-O
XLogP32.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001564.07
LogP ≤ 532.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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CID 89216058
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
3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
CID 164732050
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CID 118049400
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CID 142567776
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
acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride
CID 159524607
9-(2-bromophenyl)-2,7-diphenylfluoren-9-ol
CID 118049424
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
CID 142725067

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccccc1-c1ccccc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=c1c2ccccc2c2ccccc2c2ccccc12.OC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21.[H+].c1ccc2c(c1)-c1ccccc1C1(c3ccccc3-2)c2ccccc2-c2ccccc21.
What is the InChIKey of 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?
The InChIKey is VAURBULNBXFQAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H22O.C31H20.C19H12O.C12H9Br.9C2H6/c32-31(28-19-9-6-14-23(28)22-12-2-1-3-13-22)29-20-10-7-17-26(29)24-15-4-5-16-25(24)27-18-8-11-21-30(27)31;1-2-12-22-21(11-1)23-13-3-7-17-27(23)31(28-18-8-4-14-24(22)28)29-19-9-5-15-25(29)26-16-6-10-20-30(26)31;20-19-17-11-5-3-9-15(17)13-7-1-2-8-14(13)16-10-4-6-12-18(16)19;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;9*1-2/h1-21,32H;1-20H;1-12H;1-9H;9*1-2H3/p+1.
What are the key properties of 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?
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 has a molecular weight of 1564.07 g/mol, XLogP of 32.95, 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;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 is sourced from PubChem (CID 161247327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).