N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine

C75H49N — CID 155305027

IUPACN-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4c(-c5ccccc5-c5ccccc5)c5ccccc5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C75H49N/c1-4-22-50(23-5-1)54-42-46-58(52-26-8-3-9-27-52)68(48-54)53-40-43-55(44-41-53)76(56-45-47-64-63-33-18-21-39-71(63)75(72(64)49-56)69-37-19-16-31-61(69)62-32-17-20-38-70(62)75)74-67-36-15-12-30-60(67)59-29-11-14-35-66(59)73(74)65-34-13-10-28-57(65)51-24-6-2-7-25-51/h1-49H
InChIKeyGMYYMLSWDNQWIO-UHFFFAOYSA-N
MW964.22 g/mol
LogP20.14
Rot. Bonds8

About N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155305027) has the molecular formula C75H49N and a molecular weight of 964.22 g/mol. Its IUPAC name is N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID155305027
Molecular FormulaC75H49N
Molecular Weight964.22 g/mol
Exact Mass963.39
IUPAC NameN-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4c(-c5ccccc5-c5ccccc5)c5ccccc5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C75H49N/c1-4-22-50(23-5-1)54-42-46-58(52-26-8-3-9-27-52)68(48-54)53-40-43-55(44-41-53)76(56-45-47-64-63-33-18-21-39-71(63)75(72(64)49-56)69-37-19-16-31-61(69)62-32-17-20-38-70(62)75)74-67-36-15-12-30-60(67)59-29-11-14-35-66(59)73(74)65-34-13-10-28-57(65)51-24-6-2-7-25-51/h1-49H
InChIKeyGMYYMLSWDNQWIO-UHFFFAOYSA-N
XLogP20.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.22
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-[4-[4-[4-[3-[10-[4-[4-[4-[3-[10-[3,5-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]-2-phenylphenyl]phenyl]-N-[10-(4-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155304160
N-[10-[3-[6-[2-[3-[4-[4-[[10-[3-(2-phenylphenyl)phenyl]phenanthren-9-yl]-(9,9'-spirobi[fluorene]-2-yl)amino]phenyl]phenyl]phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthren-9-yl]-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305435
N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305261
N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305163
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305411
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine (CID 155305027) is N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4c(-c5ccccc5-c5ccccc5)c5ccccc5c5ccccc45)cc3)c2)cc1.
What is the InChIKey of N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is GMYYMLSWDNQWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N/c1-4-22-50(23-5-1)54-42-46-58(52-26-8-3-9-27-52)68(48-54)53-40-43-55(44-41-53)76(56-45-47-64-63-33-18-21-39-71(63)75(72(64)49-56)69-37-19-16-31-61(69)62-32-17-20-38-70(62)75)74-67-36-15-12-30-60(67)59-29-11-14-35-66(59)73(74)65-34-13-10-28-57(65)51-24-6-2-7-25-51/h1-49H.
What are the key properties of N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 964.22 g/mol, XLogP of 20.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155305027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).