7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

C145H91NO4 — CID 167561055

IUPAC7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccccc5)c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)c4ccccc4c3)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6oc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C60H37NO.C44H26O2.C41H28O/c1-3-17-38(18-4-1)44-32-33-51(59-53-37-42(31-34-56(53)62-60(44)59)61-54-29-15-13-23-45(54)46-24-14-16-30-55(46)61)52-36-41(35-40-21-7-8-22-43(40)52)58-49-27-11-9-25-47(49)57(39-19-5-2-6-20-39)48-26-10-12-28-50(48)58;1-2-10-28(11-3-1)41-33-13-4-6-15-35(33)42(36-16-7-5-14-34(36)41)29-20-18-27(19-21-29)30-22-23-32-38-25-24-37-31-12-8-9-17-39(31)45-43(37)44(38)46-40(32)26-30;1-41(2)33-21-11-10-19-30(33)39-34(41)24-23-32-38-31(20-12-22-35(38)42-40(32)39)37-28-17-8-6-15-26(28)36(25-13-4-3-5-14-25)27-16-7-9-18-29(27)37/h1-37H;1-26H;3-24H,1-2H3/i2D,5D,6D,19D,20D;;
InChIKeyDQXJSRUGTJKXCM-GVNZGUDSSA-N
MW1916.36 g/mol
LogP41.14
Rot. Bonds10

About 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (PubChem CID 167561055) has the molecular formula C145H91NO4 and a molecular weight of 1916.36 g/mol. Its IUPAC name is 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
PubChem CID167561055
Molecular FormulaC145H91NO4
Molecular Weight1916.36 g/mol
Exact Mass1914.73
IUPAC Name7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccccc5)c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)c4ccccc4c3)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6oc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C60H37NO.C44H26O2.C41H28O/c1-3-17-38(18-4-1)44-32-33-51(59-53-37-42(31-34-56(53)62-60(44)59)61-54-29-15-13-23-45(54)46-24-14-16-30-55(46)61)52-36-41(35-40-21-7-8-22-43(40)52)58-49-27-11-9-25-47(49)57(39-19-5-2-6-20-39)48-26-10-12-28-50(48)58;1-2-10-28(11-3-1)41-33-13-4-6-15-35(33)42(36-16-7-5-14-34(36)41)29-20-18-27(19-21-29)30-22-23-32-38-25-24-37-31-12-8-9-17-39(31)45-43(37)44(38)46-40(32)26-30;1-41(2)33-21-11-10-19-30(33)39-34(41)24-23-32-38-31(20-12-22-35(38)42-40(32)39)37-28-17-8-6-15-26(28)36(25-13-4-3-5-14-25)27-16-7-9-18-29(27)37/h1-37H;1-26H;3-24H,1-2H3/i2D,5D,6D,19D,20D;;
InChIKeyDQXJSRUGTJKXCM-GVNZGUDSSA-N
XLogP41.14
TPSA57.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001916.36
LogP ≤ 541.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 167648839
8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran
CID 167664903
8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole
CID 167686759
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 157368151
9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;4-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;10-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 167602660
9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 162780775
9-[9-[4-dibenzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-phenylcarbazole;9-[9-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-phenylcarbazole;9-[9-[4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 159038565
3-phenyl-7-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170654064
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662521
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (CID 167561055) is 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is CC1(C)c2ccccc2-c2c1ccc1c2oc2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccccc5)c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)c4ccccc4c3)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4c5ccc5c6ccccc6oc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The InChIKey is DQXJSRUGTJKXCM-GVNZGUDSSA-N. The full InChI is InChI=1S/C60H37NO.C44H26O2.C41H28O/c1-3-17-38(18-4-1)44-32-33-51(59-53-37-42(31-34-56(53)62-60(44)59)61-54-29-15-13-23-45(54)46-24-14-16-30-55(46)61)52-36-41(35-40-21-7-8-22-43(40)52)58-49-27-11-9-25-47(49)57(39-19-5-2-6-20-39)48-26-10-12-28-50(48)58;1-2-10-28(11-3-1)41-33-13-4-6-15-35(33)42(36-16-7-5-14-34(36)41)29-20-18-27(19-21-29)30-22-23-32-38-25-24-37-31-12-8-9-17-39(31)45-43(37)44(38)46-40(32)26-30;1-41(2)33-21-11-10-19-30(33)39-34(41)24-23-32-38-31(20-12-22-35(38)42-40(32)39)37-28-17-8-6-15-26(28)36(25-13-4-3-5-14-25)27-16-7-9-18-29(27)37/h1-37H;1-26H;3-24H,1-2H3/i2D,5D,6D,19D,20D;;.
What are the key properties of 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene has a molecular weight of 1916.36 g/mol, XLogP of 41.14, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 167561055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).