N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine

C44H29N3 — CID 170381394

IUPACN-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2cccc(-n3c4cccc5ccc6c7ccccc7n(c7ccccc73)c6c54)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C44H29N3/c1-2-15-33(16-3-1)45(36-26-24-30-12-4-5-13-32(30)28-36)34-17-11-18-35(29-34)46-40-21-8-9-22-41(40)47-39-20-7-6-19-37(39)38-27-25-31-14-10-23-42(46)43(31)44(38)47/h1-29H
InChIKeyLRXIVXPMCNDLNW-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.97
Rot. Bonds4

About N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine

N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 170381394) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine
PubChem CID170381394
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC NameN-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2cccc(-n3c4cccc5ccc6c7ccccc7n(c7ccccc73)c6c54)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C44H29N3/c1-2-15-33(16-3-1)45(36-26-24-30-12-4-5-13-32(30)28-36)34-17-11-18-35(29-34)46-40-21-8-9-22-41(40)47-39-20-7-6-19-37(39)38-27-25-31-14-10-23-42(46)43(31)44(38)47/h1-29H
InChIKeyLRXIVXPMCNDLNW-UHFFFAOYSA-N
XLogP11.97
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine with MolForge

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
3-(16,30-diazaoctacyclo[14.12.1.12,27.05,29.06,15.07,12.017,22.023,28]triaconta-1,3,5(29),6(15),7,9,11,13,17,19,21,23(28),24,26-tetradecaen-30-yl)-N,N-diphenylaniline
CID 146334536
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 166566072
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 145273382
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine (CID 170381394) is N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2cccc(-n3c4cccc5ccc6c7ccccc7n(c7ccccc73)c6c54)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is LRXIVXPMCNDLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-2-15-33(16-3-1)45(36-26-24-30-12-4-5-13-32(30)28-36)34-17-11-18-35(29-34)46-40-21-8-9-22-41(40)47-39-20-7-6-19-37(39)38-27-25-31-14-10-23-42(46)43(31)44(38)47/h1-29H.
What are the key properties of N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine?
N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 599.74 g/mol, XLogP of 11.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 170381394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).