N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline

C67H44N2O — CID 90154111

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C67H44N2O/c1-2-16-45(17-3-1)46-32-38-50(39-33-46)68(51-40-34-47(35-41-51)48-36-42-52(43-37-48)69-62-28-10-5-20-55(62)56-21-6-11-29-63(56)69)53-19-14-18-49(44-53)54-23-15-27-61-66(54)57-22-4-7-24-58(57)67(61)59-25-8-12-30-64(59)70-65-31-13-9-26-60(65)67/h1-44H
InChIKeyXEMVZFJLGQMGDV-UHFFFAOYSA-N
MW893.10 g/mol
LogP17.72
Rot. Bonds7

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline (PubChem CID 90154111) has the molecular formula C67H44N2O and a molecular weight of 893.10 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline
PubChem CID90154111
Molecular FormulaC67H44N2O
Molecular Weight893.10 g/mol
Exact Mass892.35
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C67H44N2O/c1-2-16-45(17-3-1)46-32-38-50(39-33-46)68(51-40-34-47(35-41-51)48-36-42-52(43-37-48)69-62-28-10-5-20-55(62)56-21-6-11-29-63(56)69)53-19-14-18-49(44-53)54-23-15-27-61-66(54)57-22-4-7-24-58(57)67(61)59-25-8-12-30-64(59)70-65-31-13-9-26-60(65)67/h1-44H
InChIKeyXEMVZFJLGQMGDV-UHFFFAOYSA-N
XLogP17.72
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.10
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477053
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
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-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477772
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476242
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476259
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
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,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine
CID 171418926
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 171418886
CID 118153657
CID 118153657

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline (CID 90154111) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline?
The InChIKey is XEMVZFJLGQMGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O/c1-2-16-45(17-3-1)46-32-38-50(39-33-46)68(51-40-34-47(35-41-51)48-36-42-52(43-37-48)69-62-28-10-5-20-55(62)56-21-6-11-29-63(56)69)53-19-14-18-49(44-53)54-23-15-27-61-66(54)57-22-4-7-24-58(57)67(61)59-25-8-12-30-64(59)70-65-31-13-9-26-60(65)67/h1-44H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline has a molecular weight of 893.10 g/mol, XLogP of 17.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline is sourced from PubChem (CID 90154111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).