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

C47H31N — CID 118580958

IUPAC9-(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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C47H31N/c1-47(2)40-16-7-5-12-38(40)45-36-25-27-43-46(37(36)24-26-41(45)47)39-13-6-8-17-42(39)48(43)29-20-18-28(19-21-29)30-22-23-35-32-11-4-3-10-31(32)34-15-9-14-33(30)44(34)35/h3-27H,1-2H3
InChIKeyZHYCOEVYUOTXHS-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.71
Rot. Bonds2

About 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

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 (PubChem CID 118580958) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID118580958
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name9-(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
SMILESCC1(C)c2ccccc2-c2c1ccc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1
InChIInChI=1S/C47H31N/c1-47(2)40-16-7-5-12-38(40)45-36-25-27-43-46(37(36)24-26-41(45)47)39-13-6-8-17-42(39)48(43)29-20-18-28(19-21-29)30-22-23-35-32-11-4-3-10-31(32)34-15-9-14-33(30)44(34)35/h3-27H,1-2H3
InChIKeyZHYCOEVYUOTXHS-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 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 with MolForge

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Related Compounds

9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980
9-[4-(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)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 163983384
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-(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
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334819
14,14-dimethyl-9-(10-tetraphenylen-2-ylanthracen-9-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138553431
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
9-(4-fluoranthen-3-ylnaphthalen-1-yl)-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 118580972
4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane
CID 158170638
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1ccc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is ZHYCOEVYUOTXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-47(2)40-16-7-5-12-38(40)45-36-25-27-43-46(37(36)24-26-41(45)47)39-13-6-8-17-42(39)48(43)29-20-18-28(19-21-29)30-22-23-35-32-11-4-3-10-31(32)34-15-9-14-33(30)44(34)35/h3-27H,1-2H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 118580958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).