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

C61H38N2 — CID 167126350

IUPACN-(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
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)c2cc3c4c5c(cccc25)C2(c5ccccc5-c5ccccc52)c2cccc(c24)n3-c2ccccc2)cc1
InChIInChI=1S/C61H38N2/c1-3-16-43(17-4-1)62(45-35-33-39(34-36-45)42-32-31-41-30-29-40-15-7-8-20-46(40)50(41)37-42)56-38-57-60-58-49(56)23-13-26-53(58)61(51-24-11-9-21-47(51)48-22-10-12-25-52(48)61)54-27-14-28-55(59(54)60)63(57)44-18-5-2-6-19-44/h1-38H
InChIKeyNJFAJOGGJBARSY-UHFFFAOYSA-N
MW798.99 g/mol
LogP16.06
Rot. Bonds5

About 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

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 (PubChem CID 167126350) has the molecular formula C61H38N2 and a molecular weight of 798.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID167126350
Molecular FormulaC61H38N2
Molecular Weight798.99 g/mol
Exact Mass798.30
IUPAC NameN-(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
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)c2cc3c4c5c(cccc25)C2(c5ccccc5-c5ccccc52)c2cccc(c24)n3-c2ccccc2)cc1
InChIInChI=1S/C61H38N2/c1-3-16-43(17-4-1)62(45-35-33-39(34-36-45)42-32-31-41-30-29-40-15-7-8-20-46(40)50(41)37-42)56-38-57-60-58-49(56)23-13-26-53(58)61(51-24-11-9-21-47(51)48-22-10-12-25-52(48)61)54-27-14-28-55(59(54)60)63(57)44-18-5-2-6-19-44/h1-38H
InChIKeyNJFAJOGGJBARSY-UHFFFAOYSA-N
XLogP16.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 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

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
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
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
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168781886
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
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
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769
N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine
CID 129174075
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc(-c3ccc4ccc5ccccc5c4c3)cc2)c2cc3c4c5c(cccc25)C2(c5ccccc5-c5ccccc52)c2cccc(c24)n3-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is NJFAJOGGJBARSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2/c1-3-16-43(17-4-1)62(45-35-33-39(34-36-45)42-32-31-41-30-29-40-15-7-8-20-46(40)50(41)37-42)56-38-57-60-58-49(56)23-13-26-53(58)61(51-24-11-9-21-47(51)48-22-10-12-25-52(48)61)54-27-14-28-55(59(54)60)63(57)44-18-5-2-6-19-44/h1-38H.
What are the key properties of 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?
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 has a molecular weight of 798.99 g/mol, XLogP of 16.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167126350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).