9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene

C59H42O — CID 163527995

IUPAC9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene
SMILESCC1(C)c2cc(-c3ccc4cc(-c5c6c(c(-c7cccc8ccccc78)c7ccccc57)=CCCC=6)ccc4c3)ccc2-c2c1ccc1ccc3c(c21)OC1C=CC=CC31
InChIInChI=1S/C59H42O/c1-59(2)51-31-28-36-26-29-49-43-15-9-10-21-53(43)60-58(49)55(36)57(51)50-30-27-40(34-52(50)59)38-22-23-39-33-41(25-24-37(39)32-38)54-45-16-5-7-18-47(45)56(48-19-8-6-17-46(48)54)44-20-11-13-35-12-3-4-14-42(35)44/h3-5,7,9-34,43,53H,6,8H2,1-2H3
InChIKeyBUFRPDQWIGPNJD-UHFFFAOYSA-N
MW766.98 g/mol
LogP13.93
Rot. Bonds3

About 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene

9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene (PubChem CID 163527995) has the molecular formula C59H42O and a molecular weight of 766.98 g/mol. Its IUPAC name is 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene.

Molecular Properties

Compound Name9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene
PubChem CID163527995
Molecular FormulaC59H42O
Molecular Weight766.98 g/mol
Exact Mass766.32
IUPAC Name9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene
SMILESCC1(C)c2cc(-c3ccc4cc(-c5c6c(c(-c7cccc8ccccc78)c7ccccc57)=CCCC=6)ccc4c3)ccc2-c2c1ccc1ccc3c(c21)OC1C=CC=CC31
InChIInChI=1S/C59H42O/c1-59(2)51-31-28-36-26-29-49-43-15-9-10-21-53(43)60-58(49)55(36)57(51)50-30-27-40(34-52(50)59)38-22-23-39-33-41(25-24-37(39)32-38)54-45-16-5-7-18-47(45)56(48-19-8-6-17-46(48)54)44-20-11-13-35-12-3-4-14-42(35)44/h3-5,7,9-34,43,53H,6,8H2,1-2H3
InChIKeyBUFRPDQWIGPNJD-UHFFFAOYSA-N
XLogP13.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.98
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene with MolForge

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Related Compounds

9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene
CID 163484996
9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135277301
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130189280
7,7-dimethyl-9-naphthalen-2-yl-4-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 163838484
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
CID 155426393
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-23-oxahexacyclo[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
CID 130211750
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 58323017
16,16-dimethyl-20-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene
CID 163601127
8,8,13,13-tetramethyl-5,16-bis(10-naphthalen-1-ylanthracen-9-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182479

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene?
The IUPAC name of 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene (CID 163527995) is 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene.
What is the SMILES notation for 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene?
The canonical SMILES for 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene is CC1(C)c2cc(-c3ccc4cc(-c5c6c(c(-c7cccc8ccccc78)c7ccccc57)=CCCC=6)ccc4c3)ccc2-c2c1ccc1ccc3c(c21)OC1C=CC=CC31.
What is the InChIKey of 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene?
The InChIKey is BUFRPDQWIGPNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42O/c1-59(2)51-31-28-36-26-29-49-43-15-9-10-21-53(43)60-58(49)55(36)57(51)50-30-27-40(34-52(50)59)38-22-23-39-33-41(25-24-37(39)32-38)54-45-16-5-7-18-47(45)56(48-19-8-6-17-46(48)54)44-20-11-13-35-12-3-4-14-42(35)44/h3-5,7,9-34,43,53H,6,8H2,1-2H3.
What are the key properties of 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene?
9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene has a molecular weight of 766.98 g/mol, XLogP of 13.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene is sourced from PubChem (CID 163527995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).