3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine

C57H39NO — CID 163892361

IUPAC3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine
SMILESCC1(C)c2cc(-c3ccccc3)cc3c2-c2c1cc(-c1ccccc1)cc2C3(c1ccc(-c2cccnc2)cc1)c1ccc(-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C57H39NO/c1-56(2)48-31-42(36-12-5-3-6-13-36)33-50-54(48)55-49(56)32-43(37-14-7-4-8-15-37)34-51(55)57(50,45-26-21-39(22-27-45)41-16-11-29-58-35-41)44-24-19-38(20-25-44)40-23-28-53-47(30-40)46-17-9-10-18-52(46)59-53/h3-35H,1-2H3
InChIKeyQCQCBYQTPUZCTJ-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.65
Rot. Bonds6

About 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine

3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine (PubChem CID 163892361) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine
PubChem CID163892361
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC Name3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine
SMILESCC1(C)c2cc(-c3ccccc3)cc3c2-c2c1cc(-c1ccccc1)cc2C3(c1ccc(-c2cccnc2)cc1)c1ccc(-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C57H39NO/c1-56(2)48-31-42(36-12-5-3-6-13-36)33-50-54(48)55-49(56)32-43(37-14-7-4-8-15-37)34-51(55)57(50,45-26-21-39(22-27-45)41-16-11-29-58-35-41)44-24-19-38(20-25-44)40-23-28-53-47(30-40)46-17-9-10-18-52(46)59-53/h3-35H,1-2H3
InChIKeyQCQCBYQTPUZCTJ-UHFFFAOYSA-N
XLogP14.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine with MolForge

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Related Compounds

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CID 171583697
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584348
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
3-[3-(3-dibenzofuran-2-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441866
4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262345
2-(30-dibenzofuran-2-yl-5,5,33,33-tetramethyl-19,19-diphenyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)dibenzofuran
CID 122519445
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
18-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-14-phenyl-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 129119582
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
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CID 171585089

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine?
The IUPAC name of 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine (CID 163892361) is 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine is CC1(C)c2cc(-c3ccccc3)cc3c2-c2c1cc(-c1ccccc1)cc2C3(c1ccc(-c2cccnc2)cc1)c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine?
The InChIKey is QCQCBYQTPUZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-56(2)48-31-42(36-12-5-3-6-13-36)33-50-54(48)55-49(56)32-43(37-14-7-4-8-15-37)34-51(55)57(50,45-26-21-39(22-27-45)41-16-11-29-58-35-41)44-24-19-38(20-25-44)40-23-28-53-47(30-40)46-17-9-10-18-52(46)59-53/h3-35H,1-2H3.
What are the key properties of 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine?
3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine has a molecular weight of 753.95 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(4-dibenzofuran-2-ylphenyl)-14,14-dimethyl-3,9-diphenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]phenyl]pyridine is sourced from PubChem (CID 163892361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).