N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine

C61H39N — CID 164977572

IUPACN,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4-c4ccc(-c5ccccc5)c5cccc2c45)c2ccccc2-3)cc1
InChIInChI=1S/C61H39N/c1-4-18-40(19-5-1)45-34-35-49-46-26-12-14-30-53(46)61(55-32-16-28-48(45)59(49)55)54-31-15-13-27-47(54)50-36-37-57(51-29-17-33-56(61)60(50)51)62(44-24-8-3-9-25-44)58-39-43-23-11-10-22-42(43)38-52(58)41-20-6-2-7-21-41/h1-39H
InChIKeyVTTMXRAUPKEOCC-UHFFFAOYSA-N
MW785.99 g/mol
LogP16.29
Rot. Bonds5

About N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine

N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine (PubChem CID 164977572) has the molecular formula C61H39N and a molecular weight of 785.99 g/mol. Its IUPAC name is N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine.

Molecular Properties

Compound NameN,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
PubChem CID164977572
Molecular FormulaC61H39N
Molecular Weight785.99 g/mol
Exact Mass785.31
IUPAC NameN,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4-c4ccc(-c5ccccc5)c5cccc2c45)c2ccccc2-3)cc1
InChIInChI=1S/C61H39N/c1-4-18-40(19-5-1)45-34-35-49-46-26-12-14-30-53(46)61(55-32-16-28-48(45)59(49)55)54-31-15-13-27-47(54)50-36-37-57(51-29-17-33-56(61)60(50)51)62(44-24-8-3-9-25-44)58-39-43-23-11-10-22-42(43)38-52(58)41-20-6-2-7-21-41/h1-39H
InChIKeyVTTMXRAUPKEOCC-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.99
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-naphthalen-1-yl-N-(3-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzothiophen-3-amine
CID 164950058
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,9,9-triphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 155133254
N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794895
2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 176633878
N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794073
N-naphthalen-1-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3-amine
CID 164794401
N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine
CID 164955814
N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811963
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-3-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811965
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine?
The IUPAC name of N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine (CID 164977572) is N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine.
What is the SMILES notation for N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine?
The canonical SMILES for N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine is c1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2ccc3c4c(cccc24)C2(c4ccccc4-c4ccc(-c5ccccc5)c5cccc2c45)c2ccccc2-3)cc1.
What is the InChIKey of N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine?
The InChIKey is VTTMXRAUPKEOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N/c1-4-18-40(19-5-1)45-34-35-49-46-26-12-14-30-53(46)61(55-32-16-28-48(45)59(49)55)54-31-15-13-27-47(54)50-36-37-57(51-29-17-33-56(61)60(50)51)62(44-24-8-3-9-25-44)58-39-43-23-11-10-22-42(43)38-52(58)41-20-6-2-7-21-41/h1-39H.
What are the key properties of N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine?
N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine has a molecular weight of 785.99 g/mol, XLogP of 16.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine is sourced from PubChem (CID 164977572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).