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

C49H33NO — CID 118891806

IUPAC24-[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
SMILESCC1(C)c2ccc3c(oc4ccccc43)c2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C2=CC=C3c4ccccc4C4=CC=CC2C43)cc1
InChIInChI=1S/C49H33NO/c1-49(2)40-26-24-37-33-12-6-8-17-43(33)51-48(37)45(40)39-25-27-42-46(47(39)49)38-13-5-7-16-41(38)50(42)29-20-18-28(19-21-29)30-22-23-36-32-11-4-3-10-31(32)35-15-9-14-34(30)44(35)36/h3-27,34,44H,1-2H3
InChIKeySMUFGHWUHMHFIE-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.67
Rot. Bonds2

About 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

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 (PubChem CID 118891806) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name24-[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
PubChem CID118891806
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC Name24-[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
SMILESCC1(C)c2ccc3c(oc4ccccc43)c2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C2=CC=C3c4ccccc4C4=CC=CC2C43)cc1
InChIInChI=1S/C49H33NO/c1-49(2)40-26-24-37-33-12-6-8-17-43(33)51-48(37)45(40)39-25-27-42-46(47(39)49)38-13-5-7-16-41(38)50(42)29-20-18-28(19-21-29)30-22-23-36-32-11-4-3-10-31(32)35-15-9-14-34(30)44(35)36/h3-27,34,44H,1-2H3
InChIKeySMUFGHWUHMHFIE-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 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 with MolForge

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Related Compounds

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
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193103
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158
5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 163477531
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc3c(oc4ccccc43)c2-c2ccc3c(c21)c1ccccc1n3-c1ccc(C2=CC=C3c4ccccc4C4=CC=CC2C43)cc1.
What is the InChIKey of 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?
The InChIKey is SMUFGHWUHMHFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-49(2)40-26-24-37-33-12-6-8-17-43(33)51-48(37)45(40)39-25-27-42-46(47(39)49)38-13-5-7-16-41(38)50(42)29-20-18-28(19-21-29)30-22-23-36-32-11-4-3-10-31(32)35-15-9-14-34(30)44(35)36/h3-27,34,44H,1-2H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 118891806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).