N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine

C51H34N2S — CID 167224962

IUPACN-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine
SMILESCC1(C)c2cccc3c2-c2c1cc(N(c1cccc(-c4ccccc4)c1)c1cccc4c1sc1ccccc14)c1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C51H34N2S/c1-51(2)39-24-13-22-36-34-19-6-9-25-41(34)53-42-26-10-7-21-38(42)47-44(30-40(51)48(46(36)39)49(47)53)52(33-18-12-17-32(29-33)31-15-4-3-5-16-31)43-27-14-23-37-35-20-8-11-28-45(35)54-50(37)43/h3-30H,1-2H3
InChIKeyBJOZJSBKOUCIQD-UHFFFAOYSA-N
MW706.91 g/mol
LogP14.58
Rot. Bonds4

About N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine

N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine (PubChem CID 167224962) has the molecular formula C51H34N2S and a molecular weight of 706.91 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine
PubChem CID167224962
Molecular FormulaC51H34N2S
Molecular Weight706.91 g/mol
Exact Mass706.24
IUPAC NameN-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine
SMILESCC1(C)c2cccc3c2-c2c1cc(N(c1cccc(-c4ccccc4)c1)c1cccc4c1sc1ccccc14)c1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C51H34N2S/c1-51(2)39-24-13-22-36-34-19-6-9-25-41(34)53-42-26-10-7-21-38(42)47-44(30-40(51)48(46(36)39)49(47)53)52(33-18-12-17-32(29-33)31-15-4-3-5-16-31)43-27-14-23-37-35-20-8-11-28-45(35)54-50(37)43/h3-30H,1-2H3
InChIKeyBJOZJSBKOUCIQD-UHFFFAOYSA-N
XLogP14.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.91
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine with MolForge

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Related Compounds

26-methyl-26-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine
CID 167225426
N-[7-(9',9'-dimethylspiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-4-amine
CID 167225020
N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine
CID 137385981
N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 169023208
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790008
N-dibenzothiophen-3-yl-9',9'-dimethyl-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene-26,10'-anthracene]-16-amine
CID 169023168
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
22-[4-dibenzothiophen-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058220
26,26-dimethyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
CID 167224954
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-phenylphenyl)-5-[9-[4-(3-phenyl-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-ylanilino)phenyl]dibenzothiophen-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 167177216
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine?
The IUPAC name of N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine (CID 167224962) is N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine is CC1(C)c2cccc3c2-c2c1cc(N(c1cccc(-c4ccccc4)c1)c1cccc4c1sc1ccccc14)c1c4ccccc4n(c21)-c1ccccc1-3.
What is the InChIKey of N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine?
The InChIKey is BJOZJSBKOUCIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S/c1-51(2)39-24-13-22-36-34-19-6-9-25-41(34)53-42-26-10-7-21-38(42)47-44(30-40(51)48(46(36)39)49(47)53)52(33-18-12-17-32(29-33)31-15-4-3-5-16-31)43-27-14-23-37-35-20-8-11-28-45(35)54-50(37)43/h3-30H,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine?
N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine has a molecular weight of 706.91 g/mol, XLogP of 14.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-26,26-dimethyl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-22-amine is sourced from PubChem (CID 167224962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).