N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

C69H43N — CID 130308534

IUPACN-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc21
InChIInChI=1S/C69H43N/c1-3-18-46-38-48(34-32-44(46)16-1)50-40-51(49-35-33-45-17-2-4-19-47(45)39-49)42-53(41-50)70(52-36-37-58-56-22-6-5-20-54(56)55-21-7-8-23-57(55)62(58)43-52)67-31-15-30-66-68(67)61-26-11-14-29-65(61)69(66)63-27-12-9-24-59(63)60-25-10-13-28-64(60)69/h1-43H
InChIKeyLDQODNRYASVAEF-UHFFFAOYSA-N
MW886.11 g/mol
LogP18.60
Rot. Bonds5

About N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 130308534) has the molecular formula C69H43N and a molecular weight of 886.11 g/mol. Its IUPAC name is N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID130308534
Molecular FormulaC69H43N
Molecular Weight886.11 g/mol
Exact Mass885.34
IUPAC NameN-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc21
InChIInChI=1S/C69H43N/c1-3-18-46-38-48(34-32-44(46)16-1)50-40-51(49-35-33-45-17-2-4-19-47(45)39-49)42-53(41-50)70(52-36-37-58-56-22-6-5-20-54(56)55-21-7-8-23-57(55)62(58)43-52)67-31-15-30-66-68(67)61-26-11-14-29-65(61)69(66)63-27-12-9-24-59(63)60-25-10-13-28-64(60)69/h1-43H
InChIKeyLDQODNRYASVAEF-UHFFFAOYSA-N
XLogP18.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.11
LogP ≤ 518.60
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-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308524
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170535376
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
3'-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729790
3'-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-naphthalen-2-ylphenyl)-N-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 159585396
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 167271873
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
CID 158578435
N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130309128
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729359

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (CID 130308534) is N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cccc21.
What is the InChIKey of N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is LDQODNRYASVAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N/c1-3-18-46-38-48(34-32-44(46)16-1)50-40-51(49-35-33-45-17-2-4-19-47(45)39-49)42-53(41-50)70(52-36-37-58-56-22-6-5-20-54(56)55-21-7-8-23-57(55)62(58)43-52)67-31-15-30-66-68(67)61-26-11-14-29-65(61)69(66)63-27-12-9-24-59(63)60-25-10-13-28-64(60)69/h1-43H.
What are the key properties of N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 886.11 g/mol, XLogP of 18.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 130308534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).