N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine

C65H41N — CID 164955814

IUPACN-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine
SMILESc1ccc(-c2ccc3ccccc3c2N(c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccccc5)c5cccc2c45)c2cccc4cccc-3c24)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C65H41N/c1-3-17-43(18-4-1)50-38-39-57-53-26-11-12-29-58(53)65(60-31-15-28-55(50)63(57)60)59-30-14-24-46-23-13-27-56(62(46)59)54-37-35-49(41-61(54)65)66(48-34-32-42-16-7-8-22-47(42)40-48)64-51-25-10-9-21-45(51)33-36-52(64)44-19-5-2-6-20-44/h1-41H
InChIKeyREWDEJUVAJKISH-UHFFFAOYSA-N
MW836.05 g/mol
LogP17.45
Rot. Bonds5

About N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine

N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine (PubChem CID 164955814) has the molecular formula C65H41N and a molecular weight of 836.05 g/mol. Its IUPAC name is N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine
PubChem CID164955814
Molecular FormulaC65H41N
Molecular Weight836.05 g/mol
Exact Mass835.32
IUPAC NameN-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine
SMILESc1ccc(-c2ccc3ccccc3c2N(c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccccc5)c5cccc2c45)c2cccc4cccc-3c24)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C65H41N/c1-3-17-43(18-4-1)50-38-39-57-53-26-11-12-29-58(53)65(60-31-15-28-55(50)63(57)60)59-30-14-24-46-23-13-27-56(62(46)59)54-37-35-49(41-61(54)65)66(48-34-32-42-16-7-8-22-47(42)40-48)64-51-25-10-9-21-45(51)33-36-52(64)44-19-5-2-6-20-44/h1-41H
InChIKeyREWDEJUVAJKISH-UHFFFAOYSA-N
XLogP17.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.05
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N'-phenyl-2-N'-(2-phenylnaphthalen-1-yl)-2-N,2-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633841
N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
CID 164965151
methane;N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164999699
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-amine;methane;N-naphthalen-1-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3-amine;N-naphthalen-1-yl-9'-phenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3-amine
CID 165069317
N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
CID 164974952
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812085
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811965
N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164793891
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952
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,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine?
The IUPAC name of N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine (CID 164955814) is N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine.
What is the SMILES notation for N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine?
The canonical SMILES for N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine is c1ccc(-c2ccc3ccccc3c2N(c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccccc5)c5cccc2c45)c2cccc4cccc-3c24)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine?
The InChIKey is REWDEJUVAJKISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N/c1-3-17-43(18-4-1)50-38-39-57-53-26-11-12-29-58(53)65(60-31-15-28-55(50)63(57)60)59-30-14-24-46-23-13-27-56(62(46)59)54-37-35-49(41-61(54)65)66(48-34-32-42-16-7-8-22-47(42)40-48)64-51-25-10-9-21-45(51)33-36-52(64)44-19-5-2-6-20-44/h1-41H.
What are the key properties of N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine?
N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine has a molecular weight of 836.05 g/mol, XLogP of 17.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine is sourced from PubChem (CID 164955814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).