3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine

C69H47N3 — CID 167176832

IUPAC3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)-c3cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1
InChIInChI=1S/C69H47N3/c1-5-22-48(23-6-1)49-25-21-32-54(44-49)70(51-26-7-2-8-27-51)55-40-42-62-60(46-55)61-47-56(71(52-28-9-3-10-29-52)68-45-50-24-13-14-33-57(50)58-34-15-16-35-59(58)68)41-43-63(61)69(62)64-36-17-19-38-66(64)72(53-30-11-4-12-31-53)67-39-20-18-37-65(67)69/h1-47H
InChIKeyHYFHLIOPOUXTPC-UHFFFAOYSA-N
MW918.16 g/mol
LogP18.75
Rot. Bonds8

About 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine

3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine (PubChem CID 167176832) has the molecular formula C69H47N3 and a molecular weight of 918.16 g/mol. Its IUPAC name is 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine.

Molecular Properties

Compound Name3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine
PubChem CID167176832
Molecular FormulaC69H47N3
Molecular Weight918.16 g/mol
Exact Mass917.38
IUPAC Name3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)-c3cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1
InChIInChI=1S/C69H47N3/c1-5-22-48(23-6-1)49-25-21-32-54(44-49)70(51-26-7-2-8-27-51)55-40-42-62-60(46-55)61-47-56(71(52-28-9-3-10-29-52)68-45-50-24-13-14-33-57(50)58-34-15-16-35-59(58)68)41-43-63(61)69(62)64-36-17-19-38-66(64)72(53-30-11-4-12-31-53)67-39-20-18-37-65(67)69/h1-47H
InChIKeyHYFHLIOPOUXTPC-UHFFFAOYSA-N
XLogP18.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.16
LogP ≤ 518.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine
CID 122425443
N-phenyl-N-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-9-amine
CID 145256486
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308471
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-[5-[3-[2'-(N-[2-(2-naphthalen-1-ylphenyl)phenyl]-3-phenylanilino)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155297035
N-(4-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 156577401
10-phenyl-N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166635
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
3-N-(10,10-diphenyl-21-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N-phenyl-1-N-(3-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052292
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018

Frequently Asked Questions

What is the IUPAC name of 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine?
The IUPAC name of 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine (CID 167176832) is 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine.
What is the SMILES notation for 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine?
The canonical SMILES for 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)-c3cc(N(c5ccccc5)c5cc6ccccc6c6ccccc56)ccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.
What is the InChIKey of 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine?
The InChIKey is HYFHLIOPOUXTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3/c1-5-22-48(23-6-1)49-25-21-32-54(44-49)70(51-26-7-2-8-27-51)55-40-42-62-60(46-55)61-47-56(71(52-28-9-3-10-29-52)68-45-50-24-13-14-33-57(50)58-34-15-16-35-59(58)68)41-43-63(61)69(62)64-36-17-19-38-66(64)72(53-30-11-4-12-31-53)67-39-20-18-37-65(67)69/h1-47H.
What are the key properties of 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine?
3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine has a molecular weight of 918.16 g/mol, XLogP of 18.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N'-phenanthren-9-yl-3-N',6-N',10-triphenyl-6-N'-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-3',6'-diamine is sourced from PubChem (CID 167176832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).