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

C61H40N2 — CID 169023199

IUPAC26,26-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-n3c5ccccc5c5ccc6c(c53)-c3c-4cccc3C6(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C61H40N2/c1-5-16-41(17-6-1)43-28-32-47(33-29-43)62(48-34-30-44(31-35-48)42-18-7-2-8-19-42)49-36-37-51-52-25-15-26-54-58(52)59-55(61(54,45-20-9-3-10-21-45)46-22-11-4-12-23-46)39-38-53-50-24-13-14-27-56(50)63(60(53)59)57(51)40-49/h1-40H
InChIKeyBOHQHGBJGSFMKJ-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.93
Rot. Bonds7

About 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

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 (PubChem CID 169023199) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name26,26-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
PubChem CID169023199
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name26,26-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-n3c5ccccc5c5ccc6c(c53)-c3c-4cccc3C6(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C61H40N2/c1-5-16-41(17-6-1)43-28-32-47(33-29-43)62(48-34-30-44(31-35-48)42-18-7-2-8-19-42)49-36-37-51-52-25-15-26-54-58(52)59-55(61(54,45-20-9-3-10-21-45)46-22-11-4-12-23-46)39-38-53-50-24-13-14-27-56(50)63(60(53)59)57(51)40-49/h1-40H
InChIKeyBOHQHGBJGSFMKJ-UHFFFAOYSA-N
XLogP15.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-(9-phenylcarbazol-2-yl)-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(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023324
7-[26,26-bis(4-phenylphenyl)-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-dodecaen-6-yl]-N,N-diphenylnaphthalen-2-amine
CID 167224905
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118349357
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
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118349359
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
N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118337172
9-[4-(9,9-diphenylfluoren-4-yl)-2-phenylphenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 171418861
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118180091
N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121386045
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 118349360
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-n3c5ccccc5c5ccc6c(c53)-c3c-4cccc3C6(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BOHQHGBJGSFMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-16-41(17-6-1)43-28-32-47(33-29-43)62(48-34-30-44(31-35-48)42-18-7-2-8-19-42)49-36-37-51-52-25-15-26-54-58(52)59-55(61(54,45-20-9-3-10-21-45)46-22-11-4-12-23-46)39-38-53-50-24-13-14-27-56(50)63(60(53)59)57(51)40-49/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 801.01 g/mol, XLogP of 15.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169023199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).