N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine

C47H45N — CID 118360823

IUPACN-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(Nc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)ccc1-2
InChIInChI=1S/C47H45N/c1-44(2,3)28-15-18-32-33-19-16-29(23-39(33)46(6,7)38(32)22-28)48-30-17-20-34-35-25-42-36(26-41(35)47(8,9)40(34)24-30)43-31-13-11-10-12-27(31)14-21-37(43)45(42,4)5/h10-26,48H,1-9H3
InChIKeyGQVFZIRLTRFIHV-UHFFFAOYSA-N
MW623.88 g/mol
LogP12.80
Rot. Bonds2

About N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine

N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine (PubChem CID 118360823) has the molecular formula C47H45N and a molecular weight of 623.88 g/mol. Its IUPAC name is N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine.

Molecular Properties

Compound NameN-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
PubChem CID118360823
Molecular FormulaC47H45N
Molecular Weight623.88 g/mol
Exact Mass623.36
IUPAC NameN-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(Nc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)ccc1-2
InChIInChI=1S/C47H45N/c1-44(2,3)28-15-18-32-33-19-16-29(23-39(33)46(6,7)38(32)22-28)48-30-17-20-34-35-25-42-36(26-41(35)47(8,9)40(34)24-30)43-31-13-11-10-12-27(31)14-21-37(43)45(42,4)5/h10-26,48H,1-9H3
InChIKeyGQVFZIRLTRFIHV-UHFFFAOYSA-N
XLogP12.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.88
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806
7,7-dimethyl-N-(4-propan-2-ylphenyl)benzo[g]fluoren-9-amine
CID 142714289
12,12-dimethyl-N-[4-(2-methylpropyl)phenyl]-22,22-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 123296449
25,25-dimethylhexacyclo[12.11.0.03,12.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742057
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.05,14.07,12.019,31.020,29.021,26]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),20(29),21,23,25,27-pentadecaene
CID 58261394
N-(4-tert-butylphenyl)-12,12,22,22-tetramethyl-N-[(10E)-6,6,12,12-tetramethyl-9-methylidene-10-prop-2-enylideneindeno[1,2-b]fluoren-2-yl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 145436597
N-(2,4-dimethylphenyl)-12,12,13,13,23,23,24,24-octamethylhexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(14),2(11),3,5,7,9,15,17(22),18,20,25-undecaen-20-amine
CID 118360849
5,5,19,19-tetramethylnonacyclo[18.16.0.02,18.04,16.06,15.09,14.023,36.024,33.025,30]hexatriaconta-1(20),2(18),3,6(15),7,9,11,13,16,21,23(36),24(33),25,27,29,31,34-heptadecaene
CID 58261583
1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 143607892
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
12,12,22,22-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118122815

Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine?
The IUPAC name of N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine (CID 118360823) is N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine.
What is the SMILES notation for N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine?
The canonical SMILES for N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(Nc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)ccc1-2.
What is the InChIKey of N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine?
The InChIKey is GQVFZIRLTRFIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H45N/c1-44(2,3)28-15-18-32-33-19-16-29(23-39(33)46(6,7)38(32)22-28)48-30-17-20-34-35-25-42-36(26-41(35)47(8,9)40(34)24-30)43-31-13-11-10-12-27(31)14-21-37(43)45(42,4)5/h10-26,48H,1-9H3.
What are the key properties of N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine?
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine has a molecular weight of 623.88 g/mol, XLogP of 12.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine is sourced from PubChem (CID 118360823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).