24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C47H31N — CID 118580952

IUPAC24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1c1c3ccccc3n(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c21
InChIInChI=1S/C47H31N/c1-47(2)40-23-9-7-19-38(40)44-45(47)37-18-6-5-17-35(37)43-39-20-8-10-24-41(39)48(46(43)44)29-14-11-13-28(27-29)30-25-26-36-32-16-4-3-15-31(32)34-22-12-21-33(30)42(34)36/h3-27H,1-2H3
InChIKeyXCJFNSHCDUMXQN-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.71
Rot. Bonds2

About 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 118580952) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
PubChem CID118580952
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1c1c3ccccc3n(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c21
InChIInChI=1S/C47H31N/c1-47(2)40-23-9-7-19-38(40)44-45(47)37-18-6-5-17-35(37)43-39-20-8-10-24-41(39)48(46(43)44)29-14-11-13-28(27-29)30-25-26-36-32-16-4-3-15-31(32)34-22-12-21-33(30)42(34)36/h3-27H,1-2H3
InChIKeyXCJFNSHCDUMXQN-UHFFFAOYSA-N
XLogP12.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

9-(3-fluoranthen-3-ylphenyl)-24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118580989
18-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-21-phenyl-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635805
9-(3-fluoranthen-3-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 118580975
21-(3-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-oxa-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635589
9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118581003
9-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-21-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635692
9,9-dimethyl-19-phenyl-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737984
5-(9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-1,3-benzothiazole
CID 122464404
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
9-fluoranthen-3-yl-21,21-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635824
10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564953
9-(4-fluoranthen-3-ylphenyl)-21,21-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 118580958

Frequently Asked Questions

What is the IUPAC name of 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 118580952) is 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2c1c1ccccc1c1c3ccccc3n(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)c21.
What is the InChIKey of 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The InChIKey is XCJFNSHCDUMXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-47(2)40-23-9-7-19-38(40)44-45(47)37-18-6-5-17-35(37)43-39-20-8-10-24-41(39)48(46(43)44)29-14-11-13-28(27-29)30-25-26-36-32-16-4-3-15-31(32)34-22-12-21-33(30)42(34)36/h3-27H,1-2H3.
What are the key properties of 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 609.77 g/mol, XLogP of 12.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(3-fluoranthen-3-ylphenyl)-9,9-dimethyl-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 118580952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).