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

C62H46O2 — CID 166898484

IUPAC10-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
SMILESCC1(C)c2cc(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3CCO4)ccc2-c2c1ccc1c2C(C)(C)c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)ccc2-1
InChIInChI=1S/C62H46O2/c1-61(2)53-25-24-47-46-22-17-44(43-21-28-58-52(34-43)51-32-41(20-27-57(51)64-58)38-13-9-6-10-14-38)35-54(46)62(3,4)60(47)59(53)48-23-18-45(36-55(48)61)42-19-26-56-50(33-42)49-31-40(37-11-7-5-8-12-37)16-15-39(49)29-30-63-56/h5-28,31-36H,29-30H2,1-4H3
InChIKeyQGVUHYZOZIKDOI-UHFFFAOYSA-N
MW823.05 g/mol
LogP16.47
Rot. Bonds4

About 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

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 (PubChem CID 166898484) has the molecular formula C62H46O2 and a molecular weight of 823.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID166898484
Molecular FormulaC62H46O2
Molecular Weight823.05 g/mol
Exact Mass822.35
IUPAC Name10-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
SMILESCC1(C)c2cc(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3CCO4)ccc2-c2c1ccc1c2C(C)(C)c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)ccc2-1
InChIInChI=1S/C62H46O2/c1-61(2)53-25-24-47-46-22-17-44(43-21-28-58-52(34-43)51-32-41(20-27-57(51)64-58)38-13-9-6-10-14-38)35-54(46)62(3,4)60(47)59(53)48-23-18-45(36-55(48)61)42-19-26-56-50(33-42)49-31-40(37-11-7-5-8-12-37)16-15-39(49)29-30-63-56/h5-28,31-36H,29-30H2,1-4H3
InChIKeyQGVUHYZOZIKDOI-UHFFFAOYSA-N
XLogP16.47
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.05
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
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
N-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161197514
N-(7-dibenzofuran-2-yl-9H-fluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 163575580

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3CCO4)ccc2-c2c1ccc1c2C(C)(C)c2cc(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)ccc2-1.
What is the InChIKey of 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?
The InChIKey is QGVUHYZOZIKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46O2/c1-61(2)53-25-24-47-46-22-17-44(43-21-28-58-52(34-43)51-32-41(20-27-57(51)64-58)38-13-9-6-10-14-38)35-54(46)62(3,4)60(47)59(53)48-23-18-45(36-55(48)61)42-19-26-56-50(33-42)49-31-40(37-11-7-5-8-12-37)16-15-39(49)29-30-63-56/h5-28,31-36H,29-30H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 823.05 g/mol, XLogP of 16.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166898484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).