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

C48H41N — CID 123296449

IUPAC12,12-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
SMILESCC(C)Cc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c(cc2-3)C(C)(C)c2ccc3ccccc3c2-4)cc1
InChIInChI=1S/C48H41N/c1-31(2)27-32-19-22-36(23-20-32)49-37-24-25-39-40-29-43-41(46-38-18-12-11-13-33(38)21-26-42(46)47(43,3)4)30-45(40)48(44(39)28-37,34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-26,28-31,49H,27H2,1-4H3
InChIKeyIGDPFZHOIBWVPJ-UHFFFAOYSA-N
MW631.86 g/mol
LogP12.45
Rot. Bonds6

About 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

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 (PubChem CID 123296449) has the molecular formula C48H41N and a molecular weight of 631.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12,12-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
PubChem CID123296449
Molecular FormulaC48H41N
Molecular Weight631.86 g/mol
Exact Mass631.32
IUPAC Name12,12-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
SMILESCC(C)Cc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c(cc2-3)C(C)(C)c2ccc3ccccc3c2-4)cc1
InChIInChI=1S/C48H41N/c1-31(2)27-32-19-22-36(23-20-32)49-37-24-25-39-40-29-43-41(46-38-18-12-11-13-33(38)21-26-42(46)47(43,3)4)30-45(40)48(44(39)28-37,34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-26,28-31,49H,27H2,1-4H3
InChIKeyIGDPFZHOIBWVPJ-UHFFFAOYSA-N
XLogP12.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.86
LogP ≤ 512.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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 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
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
7,7-dimethyl-N-(4-propan-2-ylphenyl)benzo[g]fluoren-9-amine
CID 142714289
N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine
CID 167036333
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
7,7-diphenylbenzo[g]fluoren-9-amine
CID 134361009
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4c(cc2-3)C(C)(C)c2ccc3ccccc3c2-4)cc1.
What is the InChIKey of 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?
The InChIKey is IGDPFZHOIBWVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N/c1-31(2)27-32-19-22-36(23-20-32)49-37-24-25-39-40-29-43-41(46-38-18-12-11-13-33(38)21-26-42(46)47(43,3)4)30-45(40)48(44(39)28-37,34-14-7-5-8-15-34)35-16-9-6-10-17-35/h5-26,28-31,49H,27H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 631.86 g/mol, XLogP of 12.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123296449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).