N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

C62H41NO — CID 166679145

IUPACN-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C62H41NO/c1-3-20-42(21-4-1)43-22-19-25-45(40-43)63(58-36-17-15-34-55(58)61(44-23-5-2-6-24-44)51-30-11-7-26-47(51)48-27-8-12-31-52(48)61)46-38-39-60-57(41-46)62(56-35-16-18-37-59(56)64-60)53-32-13-9-28-49(53)50-29-10-14-33-54(50)62/h1-41H
InChIKeyZSVVCKRNZOFKEJ-UHFFFAOYSA-N
MW816.02 g/mol
LogP15.66
Rot. Bonds6

About N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine

N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 166679145) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID166679145
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C62H41NO/c1-3-20-42(21-4-1)43-22-19-25-45(40-43)63(58-36-17-15-34-55(58)61(44-23-5-2-6-24-44)51-30-11-7-26-47(51)48-27-8-12-31-52(48)61)46-38-39-60-57(41-46)62(56-35-16-18-37-59(56)64-60)53-32-13-9-28-49(53)50-29-10-14-33-54(50)62/h1-41H
InChIKeyZSVVCKRNZOFKEJ-UHFFFAOYSA-N
XLogP15.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167177152
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-phenyl-N-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 169293009
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
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
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243
N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477749

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 166679145) is N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is ZSVVCKRNZOFKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-20-42(21-4-1)43-22-19-25-45(40-43)63(58-36-17-15-34-55(58)61(44-23-5-2-6-24-44)51-30-11-7-26-47(51)48-27-8-12-31-52(48)61)46-38-39-60-57(41-46)62(56-35-16-18-37-59(56)64-60)53-32-13-9-28-49(53)50-29-10-14-33-54(50)62/h1-41H.
What are the key properties of N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine?
N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 816.02 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 166679145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).