N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine

C47H34N2 — CID 134510005

IUPACN-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C47H34N2/c1-47(2)39-22-10-8-20-37(39)46-44-32(16-12-23-40(44)47)30-43-45(46)38-21-9-11-24-42(38)49(43)35-28-26-34(27-29-35)48(33-17-4-3-5-18-33)41-25-13-15-31-14-6-7-19-36(31)41/h3-30H,1-2H3
InChIKeyJGBKDFLWXJEIFL-UHFFFAOYSA-N
MW626.80 g/mol
LogP12.87
Rot. Bonds4

About N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine

N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 134510005) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID134510005
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC NameN-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C47H34N2/c1-47(2)39-22-10-8-20-37(39)46-44-32(16-12-23-40(44)47)30-43-45(46)38-21-9-11-24-42(38)49(43)35-28-26-34(27-29-35)48(33-17-4-3-5-18-33)41-25-13-15-31-14-6-7-19-36(31)41/h3-30H,1-2H3
InChIKeyJGBKDFLWXJEIFL-UHFFFAOYSA-N
XLogP12.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509965
4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)benzonitrile
CID 134509960
8,8-dimethyl-16-(4-naphthalen-2-ylphenyl)-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509949
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509925
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
16-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134510012
N-[4-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 66585289
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
16-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134510011
3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838063

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 134510005) is N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine is CC1(C)c2ccccc2-c2c3c1cccc3cc1c2c2ccccc2n1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is JGBKDFLWXJEIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-47(2)39-22-10-8-20-37(39)46-44-32(16-12-23-40(44)47)30-43-45(46)38-21-9-11-24-42(38)49(43)35-28-26-34(27-29-35)48(33-17-4-3-5-18-33)41-25-13-15-31-14-6-7-19-36(31)41/h3-30H,1-2H3.
What are the key properties of N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine?
N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 626.80 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 134510005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).