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

C65H41N — CID 164965151

IUPACN-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5cccc6ccccc56)c5c(-c6ccccc6)ccc6ccccc56)ccc-3c24)cc1
InChIInChI=1S/C65H41N/c1-3-17-42(18-4-1)47-36-38-52-54-39-40-61(66(60-34-15-23-43-21-7-9-26-48(43)60)64-49-27-10-8-22-45(49)35-37-50(64)44-19-5-2-6-20-44)55-30-16-33-58(63(54)55)65(59(52)41-47)56-31-12-11-28-51(56)53-29-13-24-46-25-14-32-57(65)62(46)53/h1-41H
InChIKeyVNFUOKHMYMKBPZ-UHFFFAOYSA-N
MW836.05 g/mol
LogP17.45
Rot. Bonds5

About 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 (PubChem CID 164965151) has the molecular formula C65H41N and a molecular weight of 836.05 g/mol. Its IUPAC name is N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
PubChem CID164965151
Molecular FormulaC65H41N
Molecular Weight836.05 g/mol
Exact Mass835.32
IUPAC NameN-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5cccc6ccccc56)c5c(-c6ccccc6)ccc6ccccc56)ccc-3c24)cc1
InChIInChI=1S/C65H41N/c1-3-17-42(18-4-1)47-36-38-52-54-39-40-61(66(60-34-15-23-43-21-7-9-26-48(43)60)64-49-27-10-8-22-45(49)35-37-50(64)44-19-5-2-6-20-44)55-30-16-33-58(63(54)55)65(59(52)41-47)56-31-12-11-28-51(56)53-29-13-24-46-25-14-32-57(65)62(46)53/h1-41H
InChIKeyVNFUOKHMYMKBPZ-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

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-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
CID 164990036
N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine
CID 164955814
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,7'-dinaphthalen-1-yl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 144583894
N-[4-(4-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-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
2'-[8-(4-phenylphenyl)-17-tricyclo[8.8.0.02,7]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485110
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine
CID 165022027
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
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine?
The IUPAC name of N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine (CID 164965151) is N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine.
What is the SMILES notation for N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine?
The canonical SMILES for N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5cccc6ccccc56)c5c(-c6ccccc6)ccc6ccccc56)ccc-3c24)cc1.
What is the InChIKey of N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine?
The InChIKey is VNFUOKHMYMKBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N/c1-3-17-42(18-4-1)47-36-38-52-54-39-40-61(66(60-34-15-23-43-21-7-9-26-48(43)60)64-49-27-10-8-22-45(49)35-37-50(64)44-19-5-2-6-20-44)55-30-16-33-58(63(54)55)65(59(52)41-47)56-31-12-11-28-51(56)53-29-13-24-46-25-14-32-57(65)62(46)53/h1-41H.
What are the key properties of 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 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-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine is sourced from PubChem (CID 164965151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).