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

C71H46N2 — CID 167224905

IUPAC7-[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
SMILESc1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccc(N(c7ccccc7)c7ccccc7)cc6c5)c5c4-c4c3ccc3c6ccccc6n(c43)-c3ccccc3-5)cc2)cc1
InChIInChI=1S/C71H46N2/c1-5-17-47(18-6-1)49-31-36-54(37-32-49)71(55-38-33-50(34-39-55)48-19-7-2-8-20-48)63-43-41-59(52-30-29-51-35-40-58(46-53(51)45-52)72(56-21-9-3-10-22-56)57-23-11-4-12-24-57)67-62-26-14-16-28-66(62)73-65-27-15-13-25-60(65)61-42-44-64(71)69(68(63)67)70(61)73/h1-46H
InChIKeyMGHHNVZOIQTEFE-UHFFFAOYSA-N
MW927.16 g/mol
LogP18.75
Rot. Bonds8

About 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

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 (PubChem CID 167224905) has the molecular formula C71H46N2 and a molecular weight of 927.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID167224905
Molecular FormulaC71H46N2
Molecular Weight927.16 g/mol
Exact Mass926.37
IUPAC Name7-[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
SMILESc1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccc(N(c7ccccc7)c7ccccc7)cc6c5)c5c4-c4c3ccc3c6ccccc6n(c43)-c3ccccc3-5)cc2)cc1
InChIInChI=1S/C71H46N2/c1-5-17-47(18-6-1)49-31-36-54(37-32-49)71(55-38-33-50(34-39-55)48-19-7-2-8-20-48)63-43-41-59(52-30-29-51-35-40-58(46-53(51)45-52)72(56-21-9-3-10-22-56)57-23-11-4-12-24-57)67-62-26-14-16-28-66(62)73-65-27-15-13-25-60(65)61-42-44-64(71)69(68(63)67)70(61)73/h1-46H
InChIKeyMGHHNVZOIQTEFE-UHFFFAOYSA-N
XLogP18.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.16
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
9-[4-(9,9-diphenylfluoren-4-yl)-2-phenylphenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 171418861
6-(2-carbazol-9-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168798301
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
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118349357
N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118337172
9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-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-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169023056
N-(9,9-dimethylfluoren-3-yl)-26,26-dinaphthalen-2-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(20),16,18,21(25),22-dodecaen-18-amine
CID 169023114

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccc(N(c7ccccc7)c7ccccc7)cc6c5)c5c4-c4c3ccc3c6ccccc6n(c43)-c3ccccc3-5)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is MGHHNVZOIQTEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2/c1-5-17-47(18-6-1)49-31-36-54(37-32-49)71(55-38-33-50(34-39-55)48-19-7-2-8-20-48)63-43-41-59(52-30-29-51-35-40-58(46-53(51)45-52)72(56-21-9-3-10-22-56)57-23-11-4-12-24-57)67-62-26-14-16-28-66(62)73-65-27-15-13-25-60(65)61-42-44-64(71)69(68(63)67)70(61)73/h1-46H.
What are the key properties of 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?
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 has a molecular weight of 927.16 g/mol, XLogP of 18.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167224905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).