N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

C116H86N2 — CID 157243923

IUPACN-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)cccc32)c2ccccc21
InChIInChI=1S/2C58H43N/c1-57(2)50-26-12-14-28-52(50)58(53-29-15-13-27-51(53)57)49-25-11-9-23-48(49)56-47(24-17-30-54(56)58)43-34-38-45(39-35-43)59(44-36-32-41(33-37-44)40-18-5-3-6-19-40)55-31-16-10-22-46(55)42-20-7-4-8-21-42;1-57(2)51-26-11-13-28-53(51)58(54-29-14-12-27-52(54)57)50-25-10-9-23-49(50)56-48(24-16-30-55(56)58)43-33-37-46(38-34-43)59(45-35-31-42(32-36-45)40-17-5-3-6-18-40)47-22-15-21-44(39-47)41-19-7-4-8-20-41/h2*3-39H,1-2H3
InChIKeyAVNLWZJNSOJETK-UHFFFAOYSA-N
MW1507.98 g/mol
LogP30.32
Rot. Bonds12

About N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline

N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 157243923) has the molecular formula C116H86N2 and a molecular weight of 1507.98 g/mol. Its IUPAC name is N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID157243923
Molecular FormulaC116H86N2
Molecular Weight1507.98 g/mol
Exact Mass1506.68
IUPAC NameN-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)cccc32)c2ccccc21
InChIInChI=1S/2C58H43N/c1-57(2)50-26-12-14-28-52(50)58(53-29-15-13-27-51(53)57)49-25-11-9-23-48(49)56-47(24-17-30-54(56)58)43-34-38-45(39-35-43)59(44-36-32-41(33-37-44)40-18-5-3-6-19-40)55-31-16-10-22-46(55)42-20-7-4-8-21-42;1-57(2)51-26-11-13-28-53(51)58(54-29-14-12-27-52(54)57)50-25-10-9-23-49(50)56-48(24-16-30-55(56)58)43-33-37-46(38-34-43)59(45-35-31-42(32-36-45)40-17-5-3-6-18-40)47-22-15-21-44(39-47)41-19-7-4-8-20-41/h2*3-39H,1-2H3
InChIKeyAVNLWZJNSOJETK-UHFFFAOYSA-N
XLogP30.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001507.98
LogP ≤ 530.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
CID 118153657
CID 118153657
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 160562558

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline (CID 157243923) is N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)cccc32)c2ccccc21.
What is the InChIKey of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is AVNLWZJNSOJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H43N/c1-57(2)50-26-12-14-28-52(50)58(53-29-15-13-27-51(53)57)49-25-11-9-23-48(49)56-47(24-17-30-54(56)58)43-34-38-45(39-35-43)59(44-36-32-41(33-37-44)40-18-5-3-6-19-40)55-31-16-10-22-46(55)42-20-7-4-8-21-42;1-57(2)51-26-11-13-28-53(51)58(54-29-14-12-27-52(54)57)50-25-10-9-23-49(50)56-48(24-16-30-55(56)58)43-33-37-46(38-34-43)59(45-35-31-42(32-36-45)40-17-5-3-6-18-40)47-22-15-21-44(39-47)41-19-7-4-8-20-41/h2*3-39H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1507.98 g/mol, XLogP of 30.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 157243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).