26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine

C57H36N2 — CID 167225423

IUPAC26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine
SMILESc1ccc(-c2cccc(Nc3ccc4c5c3C(c3cccc6ccccc36)(c3cccc6ccccc36)c3ccc6c7ccccc7n(c6c3-5)-c3ccccc3-4)c2)cc1
InChIInChI=1S/C57H36N2/c1-2-15-36(16-3-1)39-21-12-22-40(35-39)58-50-34-32-45-43-25-8-10-29-51(43)59-52-30-11-9-26-44(52)46-31-33-49-54(56(46)59)53(45)55(50)57(49,47-27-13-19-37-17-4-6-23-41(37)47)48-28-14-20-38-18-5-7-24-42(38)48/h1-35,58H
InChIKeyGJEOKRASKGLFLC-UHFFFAOYSA-N
MW748.93 g/mol
LogP14.84
Rot. Bonds5

About 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine

26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine (PubChem CID 167225423) has the molecular formula C57H36N2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine.

Molecular Properties

Compound Name26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine
PubChem CID167225423
Molecular FormulaC57H36N2
Molecular Weight748.93 g/mol
Exact Mass748.29
IUPAC Name26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine
SMILESc1ccc(-c2cccc(Nc3ccc4c5c3C(c3cccc6ccccc36)(c3cccc6ccccc36)c3ccc6c7ccccc7n(c6c3-5)-c3ccccc3-4)c2)cc1
InChIInChI=1S/C57H36N2/c1-2-15-36(16-3-1)39-21-12-22-40(35-39)58-50-34-32-45-43-25-8-10-29-51(43)59-52-30-11-9-26-44(52)46-31-33-49-54(56(46)59)53(45)55(50)57(49,47-27-13-19-37-17-4-6-23-41(37)47)48-28-14-20-38-18-5-7-24-42(38)48/h1-35,58H
InChIKeyGJEOKRASKGLFLC-UHFFFAOYSA-N
XLogP14.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 514.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine with MolForge

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[3-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-ylphenyl)phenyl]aniline
CID 167225442
26,26-diphenyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
CID 169023199
12'-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014850
4-bromo-26-methyl-26-(4-phenylphenyl)-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 167225079
1-[(5S)-5-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 121343998
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331859
26-naphthalen-1-yl-26-naphthalen-2-yl-12-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-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 169058056
9',9'-dimethyl-11-naphthalen-1-yl-N-phenyl-N-(3-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(13),9,11,15,17,19,21(25),22-dodecaene-26,10'-anthracene]-5-amine
CID 167225454
11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
CID 135169249
9-(3,5-diphenylphenyl)-1-methyl-6-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylcarbazol-2-amine
CID 144781061
2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 121343863
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967

Frequently Asked Questions

What is the IUPAC name of 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine?
The IUPAC name of 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine (CID 167225423) is 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine.
What is the SMILES notation for 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine?
The canonical SMILES for 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine is c1ccc(-c2cccc(Nc3ccc4c5c3C(c3cccc6ccccc36)(c3cccc6ccccc36)c3ccc6c7ccccc7n(c6c3-5)-c3ccccc3-4)c2)cc1.
What is the InChIKey of 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine?
The InChIKey is GJEOKRASKGLFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2/c1-2-15-36(16-3-1)39-21-12-22-40(35-39)58-50-34-32-45-43-25-8-10-29-51(43)59-52-30-11-9-26-44(52)46-31-33-49-54(56(46)59)53(45)55(50)57(49,47-27-13-19-37-17-4-6-23-41(37)47)48-28-14-20-38-18-5-7-24-42(38)48/h1-35,58H.
What are the key properties of 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine?
26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine has a molecular weight of 748.93 g/mol, XLogP of 14.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-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-4-amine is sourced from PubChem (CID 167225423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).