2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine

C72H57NO — CID 144613859

IUPAC2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine
SMILESCc1ccc(C(CCc2cc3c(c4ccccc24)-c2ccc(C(C)C(Cc4ccccc4)c4ccc5oc6ccccc6c5c4)cc2C3(c2ccccc2)c2ccccc2)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C72H57NO/c1-48-29-31-51(32-30-48)59(52-33-35-53(36-34-52)68-27-16-17-43-73-68)40-38-56-47-67-71(62-26-13-12-24-60(56)62)63-41-37-54(46-66(63)72(67,57-20-8-4-9-21-57)58-22-10-5-11-23-58)49(2)64(44-50-18-6-3-7-19-50)55-39-42-70-65(45-55)61-25-14-15-28-69(61)74-70/h3-37,39,41-43,45-47,49,59,64H,38,40,44H2,1-2H3
InChIKeyGCCKCRHJFZYCJD-UHFFFAOYSA-N
MW952.25 g/mol
LogP18.37
Rot. Bonds13

About 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine

2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine (PubChem CID 144613859) has the molecular formula C72H57NO and a molecular weight of 952.25 g/mol. Its IUPAC name is 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine
PubChem CID144613859
Molecular FormulaC72H57NO
Molecular Weight952.25 g/mol
Exact Mass951.44
IUPAC Name2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine
SMILESCc1ccc(C(CCc2cc3c(c4ccccc24)-c2ccc(C(C)C(Cc4ccccc4)c4ccc5oc6ccccc6c5c4)cc2C3(c2ccccc2)c2ccccc2)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C72H57NO/c1-48-29-31-51(32-30-48)59(52-33-35-53(36-34-52)68-27-16-17-43-73-68)40-38-56-47-67-71(62-26-13-12-24-60(56)62)63-41-37-54(46-66(63)72(67,57-20-8-4-9-21-57)58-22-10-5-11-23-58)49(2)64(44-50-18-6-3-7-19-50)55-39-42-70-65(45-55)61-25-14-15-28-69(61)74-70/h3-37,39,41-43,45-47,49,59,64H,38,40,44H2,1-2H3
InChIKeyGCCKCRHJFZYCJD-UHFFFAOYSA-N
XLogP18.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.25
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[5-[3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-1-(4-prop-2-enylphenyl)butan-2-yl]dibenzofuran
CID 144614645
2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran
CID 144613856
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 171603571
2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
CID 90706783
5-[3-(9,10-dihydrophenanthren-2-yl)-3-phenylpropyl]-7,7-dimethyl-9-[4-(2-methyl-5-naphthalen-1-ylphenyl)-3-phenylbutan-2-yl]benzo[c]fluorene
CID 144614441
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-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056233
3-[3-[7,7-dimethyl-5-[2-(4-phenyl-9H-fluoren-9-yl)ethyl]benzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]dibenzothiophene
CID 144613576
2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine
CID 90361787
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine
CID 171603684
2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383
2-[3-[9-(3-cyclohexyl-5-phenylphenyl)-7,7-bis(4-methylphenyl)benzo[c]fluoren-5-yl]-1-dibenzothiophen-2-ylpropyl]-9-ethylcarbazole
CID 144614431

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine?
The IUPAC name of 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine (CID 144613859) is 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine is Cc1ccc(C(CCc2cc3c(c4ccccc24)-c2ccc(C(C)C(Cc4ccccc4)c4ccc5oc6ccccc6c5c4)cc2C3(c2ccccc2)c2ccccc2)c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine?
The InChIKey is GCCKCRHJFZYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H57NO/c1-48-29-31-51(32-30-48)59(52-33-35-53(36-34-52)68-27-16-17-43-73-68)40-38-56-47-67-71(62-26-13-12-24-60(56)62)63-41-37-54(46-66(63)72(67,57-20-8-4-9-21-57)58-22-10-5-11-23-58)49(2)64(44-50-18-6-3-7-19-50)55-39-42-70-65(45-55)61-25-14-15-28-69(61)74-70/h3-37,39,41-43,45-47,49,59,64H,38,40,44H2,1-2H3.
What are the key properties of 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine?
2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine has a molecular weight of 952.25 g/mol, XLogP of 18.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine is sourced from PubChem (CID 144613859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).