5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine

C60H41N — CID 146540173

IUPAC5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c(-c4cccc5c4-c4ccccc4C54c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cccc23)cc1
InChIInChI=1S/C60H41N/c1-5-22-42(23-6-1)59(43-24-7-2-8-25-43)52-36-15-17-38-54(52)60(55-39-18-16-37-53(55)59)51-35-14-13-30-50(51)58-49(34-20-40-56(58)60)47-31-19-33-48-46(47)32-21-41-57(48)61(44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H
InChIKeyDMMMPDMAMJRATM-UHFFFAOYSA-N
MW776.00 g/mol
LogP15.04
Rot. Bonds6

About 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine

5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine (PubChem CID 146540173) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine.

Molecular Properties

Compound Name5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine
PubChem CID146540173
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC Name5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c(-c4cccc5c4-c4ccccc4C54c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cccc23)cc1
InChIInChI=1S/C60H41N/c1-5-22-42(23-6-1)59(43-24-7-2-8-25-43)52-36-15-17-38-54(52)60(55-39-18-16-37-53(55)59)51-35-14-13-30-50(51)58-49(34-20-40-56(58)60)47-31-19-33-48-46(47)32-21-41-57(48)61(44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H
InChIKeyDMMMPDMAMJRATM-UHFFFAOYSA-N
XLogP15.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
4-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 169019822
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 142481230
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447
N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
CID 162510727
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325438

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine?
The IUPAC name of 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine (CID 146540173) is 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine.
What is the SMILES notation for 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine?
The canonical SMILES for 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine is c1ccc(N(c2ccccc2)c2cccc3c(-c4cccc5c4-c4ccccc4C54c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cccc23)cc1.
What is the InChIKey of 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine?
The InChIKey is DMMMPDMAMJRATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-5-22-42(23-6-1)59(43-24-7-2-8-25-43)52-36-15-17-38-54(52)60(55-39-18-16-37-53(55)59)51-35-14-13-30-50(51)58-49(34-20-40-56(58)60)47-31-19-33-48-46(47)32-21-41-57(48)61(44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H.
What are the key properties of 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine?
5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine has a molecular weight of 776.00 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-N,N-diphenylnaphthalen-1-amine is sourced from PubChem (CID 146540173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).