4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline

C71H61N — CID 158740435

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline
SMILESCC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc32)cc1)C(C)(C)C
InChIInChI=1S/C71H61N/c1-69(2,3)47-68(70(4,5)6)54-27-25-52(26-28-54)55-35-43-62-60-21-13-15-23-64(60)71(66(62)45-55)65-24-16-14-22-61(65)63-44-36-56(46-67(63)71)53-33-41-59(42-34-53)72(57-37-29-50(30-38-57)48-17-9-7-10-18-48)58-39-31-51(32-40-58)49-19-11-8-12-20-49/h7-46,68H,47H2,1-6H3
InChIKeyMLMJGOXVTIBWKE-UHFFFAOYSA-N
MW928.28 g/mol
LogP19.73
Rot. Bonds9

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline (PubChem CID 158740435) has the molecular formula C71H61N and a molecular weight of 928.28 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline
PubChem CID158740435
Molecular FormulaC71H61N
Molecular Weight928.28 g/mol
Exact Mass927.48
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline
SMILESCC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc32)cc1)C(C)(C)C
InChIInChI=1S/C71H61N/c1-69(2,3)47-68(70(4,5)6)54-27-25-52(26-28-54)55-35-43-62-60-21-13-15-23-64(60)71(66(62)45-55)65-24-16-14-22-61(65)63-44-36-56(46-67(63)71)53-33-41-59(42-34-53)72(57-37-29-50(30-38-57)48-17-9-7-10-18-48)58-39-31-51(32-40-58)49-19-11-8-12-20-49/h7-46,68H,47H2,1-6H3
InChIKeyMLMJGOXVTIBWKE-UHFFFAOYSA-N
XLogP19.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.28
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[3-[4-[2'-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 162124031
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 166049015
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 162217373
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 154986884
9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene
CID 145163313
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-propan-2-ylphenyl)-6-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 146352295
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine
CID 166048969
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline (CID 158740435) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline is CC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc32)cc1)C(C)(C)C.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline?
The InChIKey is MLMJGOXVTIBWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H61N/c1-69(2,3)47-68(70(4,5)6)54-27-25-52(26-28-54)55-35-43-62-60-21-13-15-23-64(60)71(66(62)45-55)65-24-16-14-22-61(65)63-44-36-56(46-67(63)71)53-33-41-59(42-34-53)72(57-37-29-50(30-38-57)48-17-9-7-10-18-48)58-39-31-51(32-40-58)49-19-11-8-12-20-49/h7-46,68H,47H2,1-6H3.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline has a molecular weight of 928.28 g/mol, XLogP of 19.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline is sourced from PubChem (CID 158740435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).