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

C43H37N — CID 118360806

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2cc(Nc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)ccc21
InChIInChI=1S/C43H37N/c1-41(2)34-14-10-9-13-29(34)31-21-26(17-20-35(31)41)44-27-16-18-30-32-23-39-33(24-38(32)43(5,6)37(30)22-27)40-28-12-8-7-11-25(28)15-19-36(40)42(39,3)4/h7-24,44H,1-6H3
InChIKeyBAXBKJRTBYMISG-UHFFFAOYSA-N
MW567.78 g/mol
LogP11.50
Rot. Bonds2

About 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

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 (PubChem CID 118360806) has the molecular formula C43H37N and a molecular weight of 567.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID118360806
Molecular FormulaC43H37N
Molecular Weight567.78 g/mol
Exact Mass567.29
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2cc(Nc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)ccc21
InChIInChI=1S/C43H37N/c1-41(2)34-14-10-9-13-29(34)31-21-26(17-20-35(31)41)44-27-16-18-30-32-23-39-33(24-38(32)43(5,6)37(30)22-27)40-28-12-8-7-11-25(28)15-19-36(40)42(39,3)4/h7-24,44H,1-6H3
InChIKeyBAXBKJRTBYMISG-UHFFFAOYSA-N
XLogP11.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.78
LogP ≤ 511.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
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
N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168801776
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
12',12'-dimethylspiro[cyclohexane-1,22'-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene]
CID 164817979

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(Nc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)ccc21.
What is the InChIKey of 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?
The InChIKey is BAXBKJRTBYMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N/c1-41(2)34-14-10-9-13-29(34)31-21-26(17-20-35(31)41)44-27-16-18-30-32-23-39-33(24-38(32)43(5,6)37(30)22-27)40-28-12-8-7-11-25(28)15-19-36(40)42(39,3)4/h7-24,44H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 567.78 g/mol, XLogP of 11.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118360806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).