N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline

C59H38N2 — CID 167126391

IUPACN,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline
SMILESc1ccc(-c2cccc(-n3c4cccc5c4c4c6c(ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c6ccc43)C53c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C59H38N2/c1-4-16-39(17-5-1)41-18-14-23-45(38-41)61-54-29-15-28-52-57(54)58-55(61)37-35-49-46(40-30-32-44(33-31-40)60(42-19-6-2-7-20-42)43-21-8-3-9-22-43)34-36-53(56(49)58)59(52)50-26-12-10-24-47(50)48-25-11-13-27-51(48)59/h1-38H
InChIKeyCQDKYXQWSFJUMR-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.42
Rot. Bonds6

About N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline

N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline (PubChem CID 167126391) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline
PubChem CID167126391
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC NameN,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline
SMILESc1ccc(-c2cccc(-n3c4cccc5c4c4c6c(ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c6ccc43)C53c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C59H38N2/c1-4-16-39(17-5-1)41-18-14-23-45(38-41)61-54-29-15-28-52-57(54)58-55(61)37-35-49-46(40-30-32-44(33-31-40)60(42-19-6-2-7-20-42)43-21-8-3-9-22-43)34-36-53(56(49)58)59(52)50-26-12-10-24-47(50)48-25-11-13-27-51(48)59/h1-38H
InChIKeyCQDKYXQWSFJUMR-UHFFFAOYSA-N
XLogP15.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline with MolForge

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Related Compounds

4-[6-(9,9-dimethylfluoren-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]-N,N-diphenylaniline
CID 167126375
N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
CID 167126464
N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
CID 167118107
6-naphthalen-2-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine
CID 167126698
5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 169009579
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-ylphenyl)aniline;N-phenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]-4-spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-6-ylaniline
CID 158220766
N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375458
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
3',6'-ditert-butyl-N,N-diphenyl-6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
CID 170939124
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N-(4-phenanthren-3-ylphenyl)-N,6-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
CID 167126350

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline (CID 167126391) is N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline is c1ccc(-c2cccc(-n3c4cccc5c4c4c6c(ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c6ccc43)C53c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline?
The InChIKey is CQDKYXQWSFJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-4-16-39(17-5-1)41-18-14-23-45(38-41)61-54-29-15-28-52-57(54)58-55(61)37-35-49-46(40-30-32-44(33-31-40)60(42-19-6-2-7-20-42)43-21-8-3-9-22-43)34-36-53(56(49)58)59(52)50-26-12-10-24-47(50)48-25-11-13-27-51(48)59/h1-38H.
What are the key properties of N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline?
N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline has a molecular weight of 774.97 g/mol, XLogP of 15.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline is sourced from PubChem (CID 167126391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).