9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine

C192H128N12 — CID 159685688

IUPAC9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)cc5)ccc43)cc21.c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C106H66N6.C86H62N6/c1-3-25-69(26-4-1)109(73-57-61-101-87(63-73)85-35-13-23-45-99(85)111(101)75-55-59-83-81-33-11-19-41-93(81)105(95(83)65-75)89-37-15-7-29-77(89)78-30-8-16-38-90(78)105)71-51-47-67(48-52-71)103-104(108-98-44-22-21-43-97(98)107-103)68-49-53-72(54-50-68)110(70-27-5-2-6-28-70)74-58-62-102-88(64-74)86-36-14-24-46-100(86)112(102)76-56-60-84-82-34-12-20-42-94(82)106(96(84)66-76)91-39-17-9-31-79(91)80-32-10-18-40-92(80)106;1-85(2)73-29-15-11-25-65(73)67-47-43-63(53-75(67)85)91-79-33-19-13-27-69(79)71-51-61(45-49-81(71)91)89(57-21-7-5-8-22-57)59-39-35-55(36-40-59)83-84(88-78-32-18-17-31-77(78)87-83)56-37-41-60(42-38-56)90(58-23-9-6-10-24-58)62-46-50-82-72(52-62)70-28-14-20-34-80(70)92(82)64-44-48-68-66-26-12-16-30-74(66)86(3,4)76(68)54-64/h1-66H;5-54H,1-4H3
InChIKeyMVTNLATXSWONCG-UHFFFAOYSA-N
MW2603.22 g/mol
LogP49.49
Rot. Bonds20

About 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine

9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine (PubChem CID 159685688) has the molecular formula C192H128N12 and a molecular weight of 2603.22 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
PubChem CID159685688
Molecular FormulaC192H128N12
Molecular Weight2603.22 g/mol
Exact Mass2601.04
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)cc5)ccc43)cc21.c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C106H66N6.C86H62N6/c1-3-25-69(26-4-1)109(73-57-61-101-87(63-73)85-35-13-23-45-99(85)111(101)75-55-59-83-81-33-11-19-41-93(81)105(95(83)65-75)89-37-15-7-29-77(89)78-30-8-16-38-90(78)105)71-51-47-67(48-52-71)103-104(108-98-44-22-21-43-97(98)107-103)68-49-53-72(54-50-68)110(70-27-5-2-6-28-70)74-58-62-102-88(64-74)86-36-14-24-46-100(86)112(102)76-56-60-84-82-34-12-20-42-94(82)106(96(84)66-76)91-39-17-9-31-79(91)80-32-10-18-40-92(80)106;1-85(2)73-29-15-11-25-65(73)67-47-43-63(53-75(67)85)91-79-33-19-13-27-69(79)71-51-61(45-49-81(71)91)89(57-21-7-5-8-22-57)59-39-35-55(36-40-59)83-84(88-78-32-18-17-31-77(78)87-83)56-37-41-60(42-38-56)90(58-23-9-6-10-24-58)62-46-50-82-72(52-62)70-28-14-20-34-80(70)92(82)64-44-48-68-66-26-12-16-30-74(66)86(3,4)76(68)54-64/h1-66H;5-54H,1-4H3
InChIKeyMVTNLATXSWONCG-UHFFFAOYSA-N
XLogP49.49
TPSA84.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002603.22
LogP ≤ 549.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine (CID 159685688) is 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)cc5)ccc43)cc21.c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine?
The InChIKey is MVTNLATXSWONCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N6.C86H62N6/c1-3-25-69(26-4-1)109(73-57-61-101-87(63-73)85-35-13-23-45-99(85)111(101)75-55-59-83-81-33-11-19-41-93(81)105(95(83)65-75)89-37-15-7-29-77(89)78-30-8-16-38-90(78)105)71-51-47-67(48-52-71)103-104(108-98-44-22-21-43-97(98)107-103)68-49-53-72(54-50-68)110(70-27-5-2-6-28-70)74-58-62-102-88(64-74)86-36-14-24-46-100(86)112(102)76-56-60-84-82-34-12-20-42-94(82)106(96(84)66-76)91-39-17-9-31-79(91)80-32-10-18-40-92(80)106;1-85(2)73-29-15-11-25-65(73)67-47-43-63(53-75(67)85)91-79-33-19-13-27-69(79)71-51-61(45-49-81(71)91)89(57-21-7-5-8-22-57)59-39-35-55(36-40-59)83-84(88-78-32-18-17-31-77(78)87-83)56-37-41-60(42-38-56)90(58-23-9-6-10-24-58)62-46-50-82-72(52-62)70-28-14-20-34-80(70)92(82)64-44-48-68-66-26-12-16-30-74(66)86(3,4)76(68)54-64/h1-66H;5-54H,1-4H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine?
9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine has a molecular weight of 2603.22 g/mol, XLogP of 49.49, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-(N-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-N-phenylcarbazol-3-amine;N-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)-N-[4-[3-[4-(N-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 159685688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).