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

C178H148N4 — CID 162217373

IUPAC9,9-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
SMILESCC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc65)cc4)cc32)cc1)C(C)(C)C.CC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)cc32)cc1)C(C)(C)C
InChIInChI=1S/C92H76N2.C86H72N2/c1-89(2,3)58-86(90(4,5)6)64-32-30-61(31-33-64)66-40-50-76-73-23-13-17-27-81(73)92(84(76)55-66)82-28-18-14-24-74(82)77-51-41-67(56-85(77)92)63-38-47-70(48-39-63)94-87-29-19-15-25-78(87)79-54-65(42-53-88(79)94)62-36-45-69(46-37-62)93(68-43-34-60(35-44-68)59-20-10-9-11-21-59)71-49-52-75-72-22-12-16-26-80(72)91(7,8)83(75)57-71;1-83(2,3)54-80(84(4,5)6)59-32-30-57(31-33-59)61-38-46-70-67-23-13-17-27-75(67)86(78(70)51-61)76-28-18-14-24-68(76)71-48-45-65(53-79(71)86)88-81-29-19-15-25-72(81)73-50-60(39-49-82(73)88)58-36-42-63(43-37-58)87(62-40-34-56(35-41-62)55-20-10-9-11-21-55)64-44-47-69-66-22-12-16-26-74(66)85(7,8)77(69)52-64/h9-57,86H,58H2,1-8H3;9-53,80H,54H2,1-8H3
InChIKeyZTQQXBGDOIMYCM-UHFFFAOYSA-N
MW2343.17 g/mol
LogP48.61
Rot. Bonds19

About 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

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 (PubChem CID 162217373) has the molecular formula C178H148N4 and a molecular weight of 2343.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID162217373
Molecular FormulaC178H148N4
Molecular Weight2343.17 g/mol
Exact Mass2341.17
IUPAC Name9,9-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
SMILESCC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc65)cc4)cc32)cc1)C(C)(C)C.CC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)cc32)cc1)C(C)(C)C
InChIInChI=1S/C92H76N2.C86H72N2/c1-89(2,3)58-86(90(4,5)6)64-32-30-61(31-33-64)66-40-50-76-73-23-13-17-27-81(73)92(84(76)55-66)82-28-18-14-24-74(82)77-51-41-67(56-85(77)92)63-38-47-70(48-39-63)94-87-29-19-15-25-78(87)79-54-65(42-53-88(79)94)62-36-45-69(46-37-62)93(68-43-34-60(35-44-68)59-20-10-9-11-21-59)71-49-52-75-72-22-12-16-26-80(72)91(7,8)83(75)57-71;1-83(2,3)54-80(84(4,5)6)59-32-30-57(31-33-59)61-38-46-70-67-23-13-17-27-75(67)86(78(70)51-61)76-28-18-14-24-68(76)71-48-45-65(53-79(71)86)88-81-29-19-15-25-72(81)73-50-60(39-49-82(73)88)58-36-42-63(43-37-58)87(62-40-34-56(35-41-62)55-20-10-9-11-21-55)64-44-47-69-66-22-12-16-26-74(66)85(7,8)77(69)52-64/h9-57,86H,58H2,1-8H3;9-53,80H,54H2,1-8H3
InChIKeyZTQQXBGDOIMYCM-UHFFFAOYSA-N
XLogP48.61
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms182
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002343.17
LogP ≤ 548.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(N(c8ccc(-c9ccccc9)cc8)c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc65)cc4)cc32)cc1)C(C)(C)C.CC(C)(C)CC(c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)cc32)cc1)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is ZTQQXBGDOIMYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H76N2.C86H72N2/c1-89(2,3)58-86(90(4,5)6)64-32-30-61(31-33-64)66-40-50-76-73-23-13-17-27-81(73)92(84(76)55-66)82-28-18-14-24-74(82)77-51-41-67(56-85(77)92)63-38-47-70(48-39-63)94-87-29-19-15-25-78(87)79-54-65(42-53-88(79)94)62-36-45-69(46-37-62)93(68-43-34-60(35-44-68)59-20-10-9-11-21-59)71-49-52-75-72-22-12-16-26-80(72)91(7,8)83(75)57-71;1-83(2,3)54-80(84(4,5)6)59-32-30-57(31-33-59)61-38-46-70-67-23-13-17-27-75(67)86(78(70)51-61)76-28-18-14-24-68(76)71-48-45-65(53-79(71)86)88-81-29-19-15-25-72(81)73-50-60(39-49-82(73)88)58-36-42-63(43-37-58)87(62-40-34-56(35-41-62)55-20-10-9-11-21-55)64-44-47-69-66-22-12-16-26-74(66)85(7,8)77(69)52-64/h9-57,86H,58H2,1-8H3;9-53,80H,54H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 2343.17 g/mol, XLogP of 48.61, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162217373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).