9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C43H30N2 — CID 122465554

IUPAC9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4c3ccc3c5c6ccccc6ccc5n(-c5ccccc5)c34)cccc21
InChIInChI=1S/C43H30N2/c1-43(2)33-19-10-8-17-30(33)40-34(43)20-12-22-36(40)45-35-21-11-9-18-31(35)41-38(45)26-24-32-39-29-16-7-6-13-27(29)23-25-37(39)44(42(32)41)28-14-4-3-5-15-28/h3-26H,1-2H3
InChIKeyUOUUJTXUMLLLLY-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.34
Rot. Bonds2

About 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 122465554) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID122465554
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4c3ccc3c5c6ccccc6ccc5n(-c5ccccc5)c34)cccc21
InChIInChI=1S/C43H30N2/c1-43(2)33-19-10-8-17-30(33)40-34(43)20-12-22-36(40)45-35-21-11-9-18-31(35)41-38(45)26-24-32-39-29-16-7-6-13-27(29)23-25-37(39)44(42(32)41)28-14-4-3-5-15-28/h3-26H,1-2H3
InChIKeyUOUUJTXUMLLLLY-UHFFFAOYSA-N
XLogP11.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464687
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
9-fluoranthen-3-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341837
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole;12-(9,9-dimethylfluoren-1-yl)-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 158730549
28,28-dimethyl-12-phenyl-1,12-diazanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),6,8,10,15,17,19(33),20(32),21(29),22,24,26,30-pentadecaene
CID 146376237
3-(9,9-dimethylfluoren-4-yl)-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465550
9-[2,3-bis(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 149090484
14,14-dimethyl-9-naphthalen-1-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;7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazole;14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-phenylindeno[1,2-a]carbazole;7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 161042554
2,5-bis(24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
14,14-dimethyl-9-naphthalen-1-yl-6-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-nonaene
CID 154948027
21,21-dimethyl-3-naphthalen-1-yl-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene
CID 134510208

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 122465554) is 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4c3ccc3c5c6ccccc6ccc5n(-c5ccccc5)c34)cccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is UOUUJTXUMLLLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-43(2)33-19-10-8-17-30(33)40-34(43)20-12-22-36(40)45-35-21-11-9-18-31(35)41-38(45)26-24-32-39-29-16-7-6-13-27(29)23-25-37(39)44(42(32)41)28-14-4-3-5-15-28/h3-26H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 574.73 g/mol, XLogP of 11.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122465554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).