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

C51H36N2 — CID 167224954

IUPAC26,26-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
SMILESCC1(C)c2cccc3c2-c2c1c(N(c1ccc(-c4ccccc4)cc1)c1ccc(-c4ccccc4)cc1)cc1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C51H36N2/c1-51(2)43-21-13-20-41-39-18-9-11-22-44(39)53-45-23-12-10-19-40(45)42-32-46(49(51)48(47(41)43)50(42)53)52(37-28-24-35(25-29-37)33-14-5-3-6-15-33)38-30-26-36(27-31-38)34-16-7-4-8-17-34/h3-32H,1-2H3
InChIKeyOLDFQYMAYUDKCK-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.87
Rot. Bonds5

About 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

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 (PubChem CID 167224954) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name26,26-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
PubChem CID167224954
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name26,26-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
SMILESCC1(C)c2cccc3c2-c2c1c(N(c1ccc(-c4ccccc4)cc1)c1ccc(-c4ccccc4)cc1)cc1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C51H36N2/c1-51(2)43-21-13-20-41-39-18-9-11-22-44(39)53-45-23-12-10-19-40(45)42-32-46(49(51)48(47(41)43)50(42)53)52(37-28-24-35(25-29-37)33-14-5-3-6-15-33)38-30-26-36(27-31-38)34-16-7-4-8-17-34/h3-32H,1-2H3
InChIKeyOLDFQYMAYUDKCK-UHFFFAOYSA-N
XLogP13.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-[3-[4-[4-[4-(N-(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(13),9,11,15,17,19,21(25),22-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-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-dodecaen-4-amine
CID 167225012
N-(3-carbazol-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-26-(2-phenylphenyl)-26-(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 169023083
N-[4-(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]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 169023136
N-[8-(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(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169023356
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-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
(13R)-N-(9,9-dimethylfluoren-2-yl)-9',9'-dimethyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-amine
CID 146519617
N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135140257
3-N-(26,26-dimethyl-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-17-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 171416795
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]-2'-amine
CID 135140047
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cccc3c2-c2c1c(N(c1ccc(-c4ccccc4)cc1)c1ccc(-c4ccccc4)cc1)cc1c4ccccc4n(c21)-c1ccccc1-3.
What is the InChIKey of 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?
The InChIKey is OLDFQYMAYUDKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)43-21-13-20-41-39-18-9-11-22-44(39)53-45-23-12-10-19-40(45)42-32-46(49(51)48(47(41)43)50(42)53)52(37-28-24-35(25-29-37)33-14-5-3-6-15-33)38-30-26-36(27-31-38)34-16-7-4-8-17-34/h3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 676.86 g/mol, XLogP of 13.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167224954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).