5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

C62H46O2 — CID 143904623

IUPAC5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESCc1ccc(-c2ccccc2)cc1-c1cc(-c2ccc3oc4ccc5c(c4c3c2)-c2ccc(-c3ccc4oc6ccc(-c7ccccc7)cc6c4c3)cc2C5(C)C)ccc1C1CCC1
InChIInChI=1S/C62H46O2/c1-37-17-18-41(38-11-6-4-7-12-38)31-49(37)50-32-43(19-24-47(50)40-15-10-16-40)45-23-29-58-53(35-45)61-59(64-58)30-26-54-60(61)48-25-20-46(36-55(48)62(54,2)3)44-22-28-57-52(34-44)51-33-42(21-27-56(51)63-57)39-13-8-5-9-14-39/h4-9,11-14,17-36,40H,10,15-16H2,1-3H3
InChIKeyIDBDREOVJAYYMM-UHFFFAOYSA-N
MW823.05 g/mol
LogP17.70
Rot. Bonds6

About 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (PubChem CID 143904623) has the molecular formula C62H46O2 and a molecular weight of 823.05 g/mol. Its IUPAC name is 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
PubChem CID143904623
Molecular FormulaC62H46O2
Molecular Weight823.05 g/mol
Exact Mass822.35
IUPAC Name5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESCc1ccc(-c2ccccc2)cc1-c1cc(-c2ccc3oc4ccc5c(c4c3c2)-c2ccc(-c3ccc4oc6ccc(-c7ccccc7)cc6c4c3)cc2C5(C)C)ccc1C1CCC1
InChIInChI=1S/C62H46O2/c1-37-17-18-41(38-11-6-4-7-12-38)31-49(37)50-32-43(19-24-47(50)40-15-10-16-40)45-23-29-58-53(35-45)61-59(64-58)30-26-54-60(61)48-25-20-46(36-55(48)62(54,2)3)44-22-28-57-52(34-44)51-33-42(21-27-56(51)63-57)39-13-8-5-9-14-39/h4-9,11-14,17-36,40H,10,15-16H2,1-3H3
InChIKeyIDBDREOVJAYYMM-UHFFFAOYSA-N
XLogP17.70
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.05
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene with MolForge

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Related Compounds

5-cyclohexyl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 171741065
14,14-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 134392874
10-phenyl-2-[7,7,12,12-tetramethyl-2-(8-phenyldibenzofuran-2-yl)indeno[2,1-g]fluoren-9-yl]-6,7-dihydrobenzo[d][1]benzoxepine
CID 166898484
14,14-dimethyl-5-(10-phenylanthracen-9-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170374658
21,21-dimethyl-18-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15(20),16,18,23-undecaene
CID 130211869
2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 158811091
6-[3-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 142487678
14,14-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-17-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 164755378
7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 157073472
N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159396574
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran
CID 59136953

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The IUPAC name of 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (CID 143904623) is 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.
What is the SMILES notation for 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The canonical SMILES for 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is Cc1ccc(-c2ccccc2)cc1-c1cc(-c2ccc3oc4ccc5c(c4c3c2)-c2ccc(-c3ccc4oc6ccc(-c7ccccc7)cc6c4c3)cc2C5(C)C)ccc1C1CCC1.
What is the InChIKey of 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The InChIKey is IDBDREOVJAYYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46O2/c1-37-17-18-41(38-11-6-4-7-12-38)31-49(37)50-32-43(19-24-47(50)40-15-10-16-40)45-23-29-58-53(35-45)61-59(64-58)30-26-54-60(61)48-25-20-46(36-55(48)62(54,2)3)44-22-28-57-52(34-44)51-33-42(21-27-56(51)63-57)39-13-8-5-9-14-39/h4-9,11-14,17-36,40H,10,15-16H2,1-3H3.
What are the key properties of 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene has a molecular weight of 823.05 g/mol, XLogP of 17.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclobutyl-3-(2-methyl-5-phenylphenyl)phenyl]-14,14-dimethyl-17-(8-phenyldibenzofuran-2-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is sourced from PubChem (CID 143904623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).