N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine

C58H39NO — CID 146365066

IUPACN-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43C4=C(Oc5ccccc53)c3ccccc3C4)c2)cc1
InChIInChI=1S/C58H39NO/c1-3-16-39(17-4-1)42-21-15-22-45(36-42)59(44-32-30-41(31-33-44)48-24-10-9-23-47(48)40-18-5-2-6-19-40)46-34-35-53-51(38-46)50-26-11-12-27-52(50)58(53)54-28-13-14-29-56(54)60-57-49-25-8-7-20-43(49)37-55(57)58/h1-36,38H,37H2
InChIKeyVAILBRFZSZGQKL-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.83
Rot. Bonds6

About N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine

N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine (PubChem CID 146365066) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine
PubChem CID146365066
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43C4=C(Oc5ccccc53)c3ccccc3C4)c2)cc1
InChIInChI=1S/C58H39NO/c1-3-16-39(17-4-1)42-21-15-22-45(36-42)59(44-32-30-41(31-33-44)48-24-10-9-23-47(48)40-18-5-2-6-19-40)46-34-35-53-51(38-46)50-26-11-12-27-52(50)58(53)54-28-13-14-29-56(54)60-57-49-25-8-7-20-43(49)37-55(57)58/h1-36,38H,37H2
InChIKeyVAILBRFZSZGQKL-UHFFFAOYSA-N
XLogP14.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine
CID 158227613
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167177152
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476977

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine?
The IUPAC name of N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine (CID 146365066) is N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43C4=C(Oc5ccccc53)c3ccccc3C4)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine?
The InChIKey is VAILBRFZSZGQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-3-16-39(17-4-1)42-21-15-22-45(36-42)59(44-32-30-41(31-33-44)48-24-10-9-23-47(48)40-18-5-2-6-19-40)46-34-35-53-51(38-46)50-26-11-12-27-52(50)58(53)54-28-13-14-29-56(54)60-57-49-25-8-7-20-43(49)37-55(57)58/h1-36,38H,37H2.
What are the key properties of N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine?
N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine has a molecular weight of 765.96 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine is sourced from PubChem (CID 146365066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).