18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene

C49H33NO — CID 118892022

IUPAC18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc(C6=CC=C7c8ccccc8C8=CC=CC6C87)cc5)c4c21)oc1ccccc13
InChIInChI=1S/C49H33NO/c1-49(2)42-26-41-34-13-6-8-17-44(34)51-45(41)27-40(42)38-24-25-39-33-12-5-7-16-43(33)50(48(39)47(38)49)29-20-18-28(19-21-29)30-22-23-37-32-11-4-3-10-31(32)36-15-9-14-35(30)46(36)37/h3-27,35,46H,1-2H3
InChIKeyYPCDWJWVXRXNPA-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.67
Rot. Bonds2

About 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene

18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene (PubChem CID 118892022) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
PubChem CID118892022
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC Name18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
SMILESCC1(C)c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc(C6=CC=C7c8ccccc8C8=CC=CC6C87)cc5)c4c21)oc1ccccc13
InChIInChI=1S/C49H33NO/c1-49(2)42-26-41-34-13-6-8-17-44(34)51-45(41)27-40(42)38-24-25-39-33-12-5-7-16-43(33)50(48(39)47(38)49)29-20-18-28(19-21-29)30-22-23-37-32-11-4-3-10-31(32)36-15-9-14-35(30)46(36)37/h3-27,35,46H,1-2H3
InChIKeyYPCDWJWVXRXNPA-UHFFFAOYSA-N
XLogP12.67
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene with MolForge

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Related Compounds

24-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-4-oxa-24-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118891806
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
15,15-dimethyl-12-(4-triphenylen-2-ylphenyl)-24-oxa-12-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 118892015
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
12,12-dimethyl-8-[10-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)anthracen-9-yl]-11-phenylindeno[2,1-a]carbazole
CID 155007997
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098891
12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163847238
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405465
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398

Frequently Asked Questions

What is the IUPAC name of 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene (CID 118892022) is 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene is CC1(C)c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc(C6=CC=C7c8ccccc8C8=CC=CC6C87)cc5)c4c21)oc1ccccc13.
What is the InChIKey of 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene?
The InChIKey is YPCDWJWVXRXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-49(2)42-26-41-34-13-6-8-17-44(34)51-45(41)27-40(42)38-24-25-39-33-12-5-7-16-43(33)50(48(39)47(38)49)29-20-18-28(19-21-29)30-22-23-37-32-11-4-3-10-31(32)36-15-9-14-35(30)46(36)37/h3-27,35,46H,1-2H3.
What are the key properties of 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene?
18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene has a molecular weight of 651.81 g/mol, XLogP of 12.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[4-(3a,10c-dihydrofluoranthen-3-yl)phenyl]-15,15-dimethyl-5-oxa-18-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 118892022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).