N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C133H104N4 — CID 158799608

IUPACN-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)ccc54)ccc2-3)c1.Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7-c7ccccc7)cc6)ccc54)ccc2-3)c1
InChIInChI=1S/C68H54N2.C65H50N2/c1-43-36-44(2)38-49(37-43)48-26-32-55-57-34-31-52(42-63(57)68(5,6)61(55)40-48)70-65-23-15-12-20-58(65)59-39-47(27-35-66(59)70)45-24-28-50(29-25-45)69(64-22-14-11-18-53(64)46-16-8-7-9-17-46)51-30-33-56-54-19-10-13-21-60(54)67(3,4)62(56)41-51;1-43-37-44(2)39-52(38-43)51-25-34-57-58-35-33-56(42-62(58)65(3,4)61(57)41-51)67-63-18-12-11-17-59(63)60-40-50(26-36-64(60)67)49-23-31-55(32-24-49)66(53-27-19-47(20-28-53)45-13-7-5-8-14-45)54-29-21-48(22-30-54)46-15-9-6-10-16-46/h7-42H,1-6H3;5-42H,1-4H3
InChIKeyITHULBUSRNFIOR-UHFFFAOYSA-N
MW1758.32 g/mol
LogP36.33
Rot. Bonds15

About N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 158799608) has the molecular formula C133H104N4 and a molecular weight of 1758.32 g/mol. Its IUPAC name is N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID158799608
Molecular FormulaC133H104N4
Molecular Weight1758.32 g/mol
Exact Mass1756.83
IUPAC NameN-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)ccc54)ccc2-3)c1.Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7-c7ccccc7)cc6)ccc54)ccc2-3)c1
InChIInChI=1S/C68H54N2.C65H50N2/c1-43-36-44(2)38-49(37-43)48-26-32-55-57-34-31-52(42-63(57)68(5,6)61(55)40-48)70-65-23-15-12-20-58(65)59-39-47(27-35-66(59)70)45-24-28-50(29-25-45)69(64-22-14-11-18-53(64)46-16-8-7-9-17-46)51-30-33-56-54-19-10-13-21-60(54)67(3,4)62(56)41-51;1-43-37-44(2)39-52(38-43)51-25-34-57-58-35-33-56(42-62(58)65(3,4)61(57)41-51)67-63-18-12-11-17-59(63)60-40-50(26-36-64(60)67)49-23-31-55(32-24-49)66(53-27-19-47(20-28-53)45-13-7-5-8-14-45)54-29-21-48(22-30-54)46-15-9-6-10-16-46/h7-42H,1-6H3;5-42H,1-4H3
InChIKeyITHULBUSRNFIOR-UHFFFAOYSA-N
XLogP36.33
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms137
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001758.32
LogP ≤ 536.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 158799608) is N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)ccc54)ccc2-3)c1.Cc1cc(C)cc(-c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5cc(-c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7-c7ccccc7)cc6)ccc54)ccc2-3)c1.
What is the InChIKey of N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ITHULBUSRNFIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N2.C65H50N2/c1-43-36-44(2)38-49(37-43)48-26-32-55-57-34-31-52(42-63(57)68(5,6)61(55)40-48)70-65-23-15-12-20-58(65)59-39-47(27-35-66(59)70)45-24-28-50(29-25-45)69(64-22-14-11-18-53(64)46-16-8-7-9-17-46)51-30-33-56-54-19-10-13-21-60(54)67(3,4)62(56)41-51;1-43-37-44(2)39-52(38-43)51-25-34-57-58-35-33-56(42-62(58)65(3,4)61(57)41-51)67-63-18-12-11-17-59(63)60-40-50(26-36-64(60)67)49-23-31-55(32-24-49)66(53-27-19-47(20-28-53)45-13-7-5-8-14-45)54-29-21-48(22-30-54)46-15-9-6-10-16-46/h7-42H,1-6H3;5-42H,1-4H3.
What are the key properties of N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1758.32 g/mol, XLogP of 36.33, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158799608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).