N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine

C67H43N — CID 166048481

IUPACN-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5ccccc5c4-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C67H43N/c1-3-19-44(20-4-1)45-35-37-48(38-36-45)64-54-28-9-11-30-56(54)66(57-31-12-10-29-55(57)64)68(63-42-39-46-21-7-8-24-50(46)65(63)47-22-5-2-6-23-47)49-40-41-62-58(43-49)53-27-15-18-34-61(53)67(62)59-32-16-13-25-51(59)52-26-14-17-33-60(52)67/h1-43H
InChIKeyKQUOVROIDQEFNB-UHFFFAOYSA-N
MW862.09 g/mol
LogP17.96
Rot. Bonds6

About N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine

N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine (PubChem CID 166048481) has the molecular formula C67H43N and a molecular weight of 862.09 g/mol. Its IUPAC name is N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine
PubChem CID166048481
Molecular FormulaC67H43N
Molecular Weight862.09 g/mol
Exact Mass861.34
IUPAC NameN-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5ccccc5c4-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C67H43N/c1-3-19-44(20-4-1)45-35-37-48(38-36-45)64-54-28-9-11-30-56(54)66(57-31-12-10-29-55(57)64)68(63-42-39-46-21-7-8-24-50(46)65(63)47-22-5-2-6-23-47)49-40-41-62-58(43-49)53-27-15-18-34-61(53)67(62)59-32-16-13-25-51(59)52-26-14-17-33-60(52)67/h1-43H
InChIKeyKQUOVROIDQEFNB-UHFFFAOYSA-N
XLogP17.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.09
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802278
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 139352859
N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802459
N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 156558420
N-(2,4-diphenylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 165015821
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494931
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048535
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
N,N-bis(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-amine
CID 140918835
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine (CID 166048481) is N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine is c1ccc(-c2ccc(-c3c4ccccc4c(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5ccccc5c4-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is KQUOVROIDQEFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N/c1-3-19-44(20-4-1)45-35-37-48(38-36-45)64-54-28-9-11-30-56(54)66(57-31-12-10-29-55(57)64)68(63-42-39-46-21-7-8-24-50(46)65(63)47-22-5-2-6-23-47)49-40-41-62-58(43-49)53-27-15-18-34-61(53)67(62)59-32-16-13-25-51(59)52-26-14-17-33-60(52)67/h1-43H.
What are the key properties of N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine?
N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 862.09 g/mol, XLogP of 17.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 166048481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).