N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine

C60H39N — CID 156524719

IUPACN-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine
SMILESc1ccc2c(c1)Cc1ccc(N(c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4ccccc4c3)cc1-2
InChIInChI=1S/C60H39N/c1-2-15-41-37-45(34-28-39(41)14-1)61(46-35-31-43-36-42-16-3-4-18-48(42)54(43)38-46)44-32-29-40(30-33-44)47-17-5-6-19-49(47)52-23-13-27-58-59(52)53-22-9-12-26-57(53)60(58)55-24-10-7-20-50(55)51-21-8-11-25-56(51)60/h1-35,37-38H,36H2
InChIKeyHWCZPYWEDZSWGE-UHFFFAOYSA-N
MW773.98 g/mol
LogP15.56
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine

N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine (PubChem CID 156524719) has the molecular formula C60H39N and a molecular weight of 773.98 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine
PubChem CID156524719
Molecular FormulaC60H39N
Molecular Weight773.98 g/mol
Exact Mass773.31
IUPAC NameN-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine
SMILESc1ccc2c(c1)Cc1ccc(N(c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4ccccc4c3)cc1-2
InChIInChI=1S/C60H39N/c1-2-15-41-37-45(34-28-39(41)14-1)61(46-35-31-43-36-42-16-3-4-18-48(42)54(43)38-46)44-32-29-40(30-33-44)47-17-5-6-19-49(47)52-23-13-27-58-59(52)53-22-9-12-26-57(53)60(58)55-24-10-7-20-50(55)51-21-8-11-25-56(51)60/h1-35,37-38H,36H2
InChIKeyHWCZPYWEDZSWGE-UHFFFAOYSA-N
XLogP15.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 156524799
11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine
CID 156524620
N-(9,9-dimethylfluoren-2-yl)-N-(4-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]-4'-ylphenyl)-9,10-dihydrophenanthren-3-amine
CID 135229457
4'-phenyl-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258808
1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
CID 121361321
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122470393
N-[6-[4-[3-[4-(N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139394427
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-(9,9-dimethylfluoren-4-yl)-N-(4-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)-9,9'-spirobi[fluorene]-2-amine
CID 146370165

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine (CID 156524719) is N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine is c1ccc2c(c1)Cc1ccc(N(c3ccc(-c4ccccc4-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4ccccc4c3)cc1-2.
What is the InChIKey of N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine?
The InChIKey is HWCZPYWEDZSWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N/c1-2-15-41-37-45(34-28-39(41)14-1)61(46-35-31-43-36-42-16-3-4-18-48(42)54(43)38-46)44-32-29-40(30-33-44)47-17-5-6-19-49(47)52-23-13-27-58-59(52)53-22-9-12-26-57(53)60(58)55-24-10-7-20-50(55)51-21-8-11-25-56(51)60/h1-35,37-38H,36H2.
What are the key properties of N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine?
N-naphthalen-2-yl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine has a molecular weight of 773.98 g/mol, XLogP of 15.56, 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-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]-9H-fluoren-3-amine is sourced from PubChem (CID 156524719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).