N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

C70H47N — CID 142481230

IUPACN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cccc43)c3ccccc32)cc1
InChIInChI=1S/C70H47N/c1-3-24-52(25-4-1)69(53-26-5-2-6-27-53)62-34-13-15-36-64(62)70(65-37-16-14-35-63(65)69)61-33-12-11-30-60(61)68-59(32-19-38-66(68)70)51-42-46-55(47-43-51)71(67-39-18-23-49-21-8-10-29-58(49)67)54-44-40-50(41-45-54)57-31-17-22-48-20-7-9-28-56(48)57/h1-47H
InChIKeyNTJPJKWSVIMXDZ-UHFFFAOYSA-N
MW902.15 g/mol
LogP17.86
Rot. Bonds7

About N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 142481230) has the molecular formula C70H47N and a molecular weight of 902.15 g/mol. Its IUPAC name is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
PubChem CID142481230
Molecular FormulaC70H47N
Molecular Weight902.15 g/mol
Exact Mass901.37
IUPAC NameN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cccc43)c3ccccc32)cc1
InChIInChI=1S/C70H47N/c1-3-24-52(25-4-1)69(53-26-5-2-6-27-53)62-34-13-15-36-64(62)70(65-37-16-14-35-63(65)69)61-33-12-11-30-60(61)68-59(32-19-38-66(68)70)51-42-46-55(47-43-51)71(67-39-18-23-49-21-8-10-29-58(49)67)54-44-40-50(41-45-54)57-31-17-22-48-20-7-9-28-56(48)57/h1-47H
InChIKeyNTJPJKWSVIMXDZ-UHFFFAOYSA-N
XLogP17.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.15
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
4-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 169019822
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 169020349
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303422
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 142481230) is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4c(-c5ccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cccc43)c3ccccc32)cc1.
What is the InChIKey of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The InChIKey is NTJPJKWSVIMXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N/c1-3-24-52(25-4-1)69(53-26-5-2-6-27-53)62-34-13-15-36-64(62)70(65-37-16-14-35-63(65)69)61-33-12-11-30-60(61)68-59(32-19-38-66(68)70)51-42-46-55(47-43-51)71(67-39-18-23-49-21-8-10-29-58(49)67)54-44-40-50(41-45-54)57-31-17-22-48-20-7-9-28-56(48)57/h1-47H.
What are the key properties of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 902.15 g/mol, XLogP of 17.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 142481230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).