1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol

C34H24O2 — CID 101377668

IUPAC1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(C2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C34H24O2/c1-2-33(35,26-12-5-3-6-13-26)27-18-20-29(21-19-27)34(28-14-7-4-8-15-28)24-23-31-30-16-10-9-11-25(30)17-22-32(31)36-34/h1,3-24,35H
InChIKeyRLZTVSPLNVUXNI-UHFFFAOYSA-N
MW464.56 g/mol
LogP7.06
Rot. Bonds4

About 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol

1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol (PubChem CID 101377668) has the molecular formula C34H24O2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol
PubChem CID101377668
Molecular FormulaC34H24O2
Molecular Weight464.56 g/mol
Exact Mass464.18
IUPAC Name1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(C2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C34H24O2/c1-2-33(35,26-12-5-3-6-13-26)27-18-20-29(21-19-27)34(28-14-7-4-8-15-28)24-23-31-30-16-10-9-11-25(30)17-22-32(31)36-34/h1,3-24,35H
InChIKeyRLZTVSPLNVUXNI-UHFFFAOYSA-N
XLogP7.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
CID 71346281
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
CID 10527161
CID 10527161
5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole
CID 19378311
3-methyl-3-phenylbenzo[f]chromene
CID 10849806
8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
CID 22084982
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-[1,2-bis(1,3-benzodithiol-2-ylidene)-2-(3,3-diphenylbenzo[f]chromen-8-yl)ethyl]-3,3-diphenylbenzo[f]chromene
CID 101369749
7-methoxy-3,3-diphenylbenzo[f]chromene
CID 18954870

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol (CID 101377668) is 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol is C#CC(O)(c1ccccc1)c1ccc(C2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol?
The InChIKey is RLZTVSPLNVUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O2/c1-2-33(35,26-12-5-3-6-13-26)27-18-20-29(21-19-27)34(28-14-7-4-8-15-28)24-23-31-30-16-10-9-11-25(30)17-22-32(31)36-34/h1,3-24,35H.
What are the key properties of 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol?
1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol has a molecular weight of 464.56 g/mol, XLogP of 7.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 101377668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).