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

C69H60 — CID 144614441

IUPAC5-[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
SMILESCc1ccc(-c2cccc3ccccc23)cc1CC(c1ccccc1)C(C)c1ccc2c(c1)C(C)(C)c1cc(CCC(c3ccccc3)c3ccc4c(c3)CCc3ccccc3-4)c3ccccc3c1-2
InChIInChI=1S/C69H60/c1-45-30-31-53(60-29-17-24-48-22-11-13-25-58(48)60)41-56(45)42-65(49-20-9-6-10-21-49)46(2)51-34-39-64-66(43-51)69(3,4)67-44-55(61-27-15-16-28-63(61)68(64)67)35-37-57(47-18-7-5-8-19-47)52-36-38-62-54(40-52)33-32-50-23-12-14-26-59(50)62/h5-31,34,36,38-41,43-44,46,57,65H,32-33,35,37,42H2,1-4H3
InChIKeyXXBSPHGLNFYRNW-UHFFFAOYSA-N
MW889.24 g/mol
LogP17.94
Rot. Bonds11

About 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

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 (PubChem CID 144614441) has the molecular formula C69H60 and a molecular weight of 889.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID144614441
Molecular FormulaC69H60
Molecular Weight889.24 g/mol
Exact Mass888.47
IUPAC Name5-[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
SMILESCc1ccc(-c2cccc3ccccc23)cc1CC(c1ccccc1)C(C)c1ccc2c(c1)C(C)(C)c1cc(CCC(c3ccccc3)c3ccc4c(c3)CCc3ccccc3-4)c3ccccc3c1-2
InChIInChI=1S/C69H60/c1-45-30-31-53(60-29-17-24-48-22-11-13-25-58(48)60)41-56(45)42-65(49-20-9-6-10-21-49)46(2)51-34-39-64-66(43-51)69(3,4)67-44-55(61-27-15-16-28-63(61)68(64)67)35-37-57(47-18-7-5-8-19-47)52-36-38-62-54(40-52)33-32-50-23-12-14-26-59(50)62/h5-31,34,36,38-41,43-44,46,57,65H,32-33,35,37,42H2,1-4H3
InChIKeyXXBSPHGLNFYRNW-UHFFFAOYSA-N
XLogP17.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.24
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene
CID 144614284
2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran
CID 144613856
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
4-N-[30-(3,3-diphenylpropyl)-5,5,19,19,33,33-hexamethyl-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]-1-N,1-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 170360567
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
7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene
CID 144614186
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
9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
CID 140584073
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
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
7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
CID 162108873
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168777892

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cccc3ccccc23)cc1CC(c1ccccc1)C(C)c1ccc2c(c1)C(C)(C)c1cc(CCC(c3ccccc3)c3ccc4c(c3)CCc3ccccc3-4)c3ccccc3c1-2.
What is the InChIKey of 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?
The InChIKey is XXBSPHGLNFYRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H60/c1-45-30-31-53(60-29-17-24-48-22-11-13-25-58(48)60)41-56(45)42-65(49-20-9-6-10-21-49)46(2)51-34-39-64-66(43-51)69(3,4)67-44-55(61-27-15-16-28-63(61)68(64)67)35-37-57(47-18-7-5-8-19-47)52-36-38-62-54(40-52)33-32-50-23-12-14-26-59(50)62/h5-31,34,36,38-41,43-44,46,57,65H,32-33,35,37,42H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 889.24 g/mol, XLogP of 17.94, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144614441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).