6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine

C59H38N2 — CID 167126436

IUPAC6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c6c7c(cccc7ccc6n(-c6ccccc6)c5c3)C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C59H38N2/c1-4-17-39(18-5-1)42-22-14-26-45(35-42)60(46-27-15-23-43(36-46)40-19-6-2-7-20-40)47-37-53-57-55(38-47)61(44-24-8-3-9-25-44)54-34-33-41-21-16-32-52(56(41)58(54)57)59(53)50-30-12-10-28-48(50)49-29-11-13-31-51(49)59/h1-38H
InChIKeyPHILTFPUENQRLW-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.42
Rot. Bonds6

About 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine

6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine (PubChem CID 167126436) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine.

Molecular Properties

Compound Name6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine
PubChem CID167126436
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC Name6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c6c7c(cccc7ccc6n(-c6ccccc6)c5c3)C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C59H38N2/c1-4-17-39(18-5-1)42-22-14-26-45(35-42)60(46-27-15-23-43(36-46)40-19-6-2-7-20-40)47-37-53-57-55(38-47)61(44-24-8-3-9-25-44)54-34-33-41-21-16-32-52(56(41)58(54)57)59(53)50-30-12-10-28-48(50)49-29-11-13-31-51(49)59/h1-38H
InChIKeyPHILTFPUENQRLW-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 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 169009579
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N,N-bis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]-3'-amine;spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]
CID 158405028
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[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]-12-amine
CID 167126746
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
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
9,9-diphenyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118282644
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
N-dibenzofuran-2-yl-6-naphthalen-2-yl-N-phenylspiro[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]-12-amine
CID 167126740
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
N-[4-[3-(9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-9-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164845717
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158340092

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine?
The IUPAC name of 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine (CID 167126436) is 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine.
What is the SMILES notation for 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine?
The canonical SMILES for 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3cc4c5c6c7c(cccc7ccc6n(-c6ccccc6)c5c3)C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine?
The InChIKey is PHILTFPUENQRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-4-17-39(18-5-1)42-22-14-26-45(35-42)60(46-27-15-23-43(36-46)40-19-6-2-7-20-40)47-37-53-57-55(38-47)61(44-24-8-3-9-25-44)54-34-33-41-21-16-32-52(56(41)58(54)57)59(53)50-30-12-10-28-48(50)49-29-11-13-31-51(49)59/h1-38H.
What are the key properties of 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine?
6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine 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 6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine is sourced from PubChem (CID 167126436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).