3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline

C63H41N — CID 170421355

IUPAC3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C63H41N/c1-3-21-50-42(15-1)17-12-26-52(50)44-33-37-47(38-34-44)64(49-20-11-19-46(41-49)53-27-13-18-43-16-2-4-22-51(43)53)48-39-35-45(36-40-48)54-28-14-29-58-57-25-7-10-32-61(57)63(62(54)58)59-30-8-5-23-55(59)56-24-6-9-31-60(56)63/h1-41H
InChIKeyADXPZROOXNMFNN-UHFFFAOYSA-N
MW812.03 g/mol
LogP16.81
Rot. Bonds6

About 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline

3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline (PubChem CID 170421355) has the molecular formula C63H41N and a molecular weight of 812.03 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
PubChem CID170421355
Molecular FormulaC63H41N
Molecular Weight812.03 g/mol
Exact Mass811.32
IUPAC Name3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C63H41N/c1-3-21-50-42(15-1)17-12-26-52(50)44-33-37-47(38-34-44)64(49-20-11-19-46(41-49)53-27-13-18-43-16-2-4-22-51(43)53)48-39-35-45(36-40-48)54-28-14-29-58-57-25-7-10-32-61(57)63(62(54)58)59-30-8-5-23-55(59)56-24-6-9-31-60(56)63/h1-41H
InChIKeyADXPZROOXNMFNN-UHFFFAOYSA-N
XLogP16.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.03
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)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-dodecaen-4-amine
CID 156664798
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1'-phenyl-9,9'-spirobi[fluorene]
CID 160786762
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
CID 170215462
3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788673
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline?
The IUPAC name of 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline (CID 170421355) is 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline.
What is the SMILES notation for 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline?
The canonical SMILES for 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline is c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)c2ccc(-c3cccc4ccccc34)cc2)c1.
What is the InChIKey of 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline?
The InChIKey is ADXPZROOXNMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N/c1-3-21-50-42(15-1)17-12-26-52(50)44-33-37-47(38-34-44)64(49-20-11-19-46(41-49)53-27-13-18-43-16-2-4-22-51(43)53)48-39-35-45(36-40-48)54-28-14-29-58-57-25-7-10-32-61(57)63(62(54)58)59-30-8-5-23-55(59)56-24-6-9-31-60(56)63/h1-41H.
What are the key properties of 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline?
3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline has a molecular weight of 812.03 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline is sourced from PubChem (CID 170421355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).