19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene

C61H42O2 — CID 130213747

IUPAC19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
SMILESC=Cc1c(C=C)c(-c2ccc3ccccc3c2)c2c(c1-c1ccc3c(c1)-c1ccc(-c4ccc5oc6c(ccc7ccc8oc9ccccc9c8c76)c5c4)cc1C3(C)C)=CCCC=2
InChIInChI=1S/C61H42O2/c1-5-42-43(6-2)57(46-16-10-9-15-45(46)56(42)40-20-19-35-13-7-8-14-37(35)31-40)41-23-28-51-49(33-41)44-26-22-39(34-52(44)61(51,3)4)38-25-29-54-50(32-38)47-27-21-36-24-30-55-59(58(36)60(47)63-54)48-17-11-12-18-53(48)62-55/h5-8,11-34H,1-2,9-10H2,3-4H3
InChIKeyHHPSNXBPISILCK-UHFFFAOYSA-N
MW807.01 g/mol
LogP15.74
Rot. Bonds5

About 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene

19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene (PubChem CID 130213747) has the molecular formula C61H42O2 and a molecular weight of 807.01 g/mol. Its IUPAC name is 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene.

Molecular Properties

Compound Name19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
PubChem CID130213747
Molecular FormulaC61H42O2
Molecular Weight807.01 g/mol
Exact Mass806.32
IUPAC Name19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
SMILESC=Cc1c(C=C)c(-c2ccc3ccccc3c2)c2c(c1-c1ccc3c(c1)-c1ccc(-c4ccc5oc6c(ccc7ccc8oc9ccccc9c8c76)c5c4)cc1C3(C)C)=CCCC=2
InChIInChI=1S/C61H42O2/c1-5-42-43(6-2)57(46-16-10-9-15-45(46)56(42)40-20-19-35-13-7-8-14-37(35)31-40)41-23-28-51-49(33-41)44-26-22-39(34-52(44)61(51,3)4)38-25-29-54-50(32-38)47-27-21-36-24-30-55-59(58(36)60(47)63-54)48-17-11-12-18-53(48)62-55/h5-8,11-34H,1-2,9-10H2,3-4H3
InChIKeyHHPSNXBPISILCK-UHFFFAOYSA-N
XLogP15.74
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene with MolForge

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Related Compounds

22,22-dimethyl-18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 130211972
16,16-dimethyl-20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 130211999
6-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 122425952
8-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 160957556
6-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122425961
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene;6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,21-dioxahexacyclo[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;6-[10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene;20-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 163411777
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 157172121
18-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 163952762
2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran
CID 157340678
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine;bis(2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-4-yl-1,3,5-triazine);2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-1-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-3-yl)-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazine
CID 163592235

Frequently Asked Questions

What is the IUPAC name of 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?
The IUPAC name of 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene (CID 130213747) is 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene.
What is the SMILES notation for 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?
The canonical SMILES for 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene is C=Cc1c(C=C)c(-c2ccc3ccccc3c2)c2c(c1-c1ccc3c(c1)-c1ccc(-c4ccc5oc6c(ccc7ccc8oc9ccccc9c8c76)c5c4)cc1C3(C)C)=CCCC=2.
What is the InChIKey of 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?
The InChIKey is HHPSNXBPISILCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42O2/c1-5-42-43(6-2)57(46-16-10-9-15-45(46)56(42)40-20-19-35-13-7-8-14-37(35)31-40)41-23-28-51-49(33-41)44-26-22-39(34-52(44)61(51,3)4)38-25-29-54-50(32-38)47-27-21-36-24-30-55-59(58(36)60(47)63-54)48-17-11-12-18-53(48)62-55/h5-8,11-34H,1-2,9-10H2,3-4H3.
What are the key properties of 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene?
19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene has a molecular weight of 807.01 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene is sourced from PubChem (CID 130213747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).