N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine

C51H47N3 — CID 170073294

IUPACN-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC(C)c1cccc2c1N1c3c(ccc4c3N(c3c(C(C)C)cccc3C4C)C1c1ccc(N(c3ccccc3)c3cccc4ccccc34)cc1)C2C
InChIInChI=1S/C51H47N3/c1-31(2)39-20-13-22-41-33(5)43-29-30-44-34(6)42-23-14-21-40(32(3)4)48(42)54-50(44)49(43)53(47(39)41)51(54)36-25-27-38(28-26-36)52(37-17-8-7-9-18-37)46-24-12-16-35-15-10-11-19-45(35)46/h7-34,51H,1-6H3
InChIKeyVBERIHFUXJEBSO-UHFFFAOYSA-N
MW701.96 g/mol
LogP14.48
Rot. Bonds6

About N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 170073294) has the molecular formula C51H47N3 and a molecular weight of 701.96 g/mol. Its IUPAC name is N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID170073294
Molecular FormulaC51H47N3
Molecular Weight701.96 g/mol
Exact Mass701.38
IUPAC NameN-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCC(C)c1cccc2c1N1c3c(ccc4c3N(c3c(C(C)C)cccc3C4C)C1c1ccc(N(c3ccccc3)c3cccc4ccccc34)cc1)C2C
InChIInChI=1S/C51H47N3/c1-31(2)39-20-13-22-41-33(5)43-29-30-44-34(6)42-23-14-21-40(32(3)4)48(42)54-50(44)49(43)53(47(39)41)51(54)36-25-27-38(28-26-36)52(37-17-8-7-9-18-37)46-24-12-16-35-15-10-11-19-45(35)46/h7-34,51H,1-6H3
InChIKeyVBERIHFUXJEBSO-UHFFFAOYSA-N
XLogP14.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.96
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 118686066
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730

Frequently Asked Questions

What is the IUPAC name of N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine (CID 170073294) is N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine is CC(C)c1cccc2c1N1c3c(ccc4c3N(c3c(C(C)C)cccc3C4C)C1c1ccc(N(c3ccccc3)c3cccc4ccccc34)cc1)C2C.
What is the InChIKey of N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is VBERIHFUXJEBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N3/c1-31(2)39-20-13-22-41-33(5)43-29-30-44-34(6)42-23-14-21-40(32(3)4)48(42)54-50(44)49(43)53(47(39)41)51(54)36-25-27-38(28-26-36)52(37-17-8-7-9-18-37)46-24-12-16-35-15-10-11-19-45(35)46/h7-34,51H,1-6H3.
What are the key properties of N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 701.96 g/mol, XLogP of 14.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8,13-dimethyl-3,18-di(propan-2-yl)-1,20-diazahexacyclo[18.2.1.02,7.09,22.012,21.014,19]tricosa-2(7),3,5,9(22),10,12(21),14(19),15,17-nonaen-23-yl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 170073294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).