N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine

C145H111N3 — CID 159633994

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1ccc(C2(C)c3cc(-c4ccccc4)ccc3-c3c(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc4)cccc32)cc1
InChIInChI=1S/C85H64N2.C60H47N/c1-83(2)76-34-17-14-30-71(76)73-52-50-68(55-80(73)83)87(69-51-53-74-72-31-15-18-35-77(72)84(3,4)81(74)56-69)66-48-42-61(43-49-66)70-33-21-37-79-82(70)75-32-16-19-36-78(75)85(79,62-26-12-7-13-27-62)63-28-20-29-67(54-63)86(64-44-38-59(39-45-64)57-22-8-5-9-23-57)65-46-40-60(41-47-65)58-24-10-6-11-25-58;1-40-26-31-45(32-27-40)60(4)54-24-15-22-49(58(54)52-36-30-44(38-56(52)60)41-16-7-5-8-17-41)43-28-33-46(34-29-43)61(57-25-14-12-20-48(57)42-18-9-6-10-19-42)47-35-37-51-50-21-11-13-23-53(50)59(2,3)55(51)39-47/h5-56H,1-4H3;5-39H,1-4H3
InChIKeyMPMSMMUPQPQQMG-UHFFFAOYSA-N
MW1895.50 g/mol
LogP38.71
Rot. Bonds18

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 159633994) has the molecular formula C145H111N3 and a molecular weight of 1895.50 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID159633994
Molecular FormulaC145H111N3
Molecular Weight1895.50 g/mol
Exact Mass1893.88
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1ccc(C2(C)c3cc(-c4ccccc4)ccc3-c3c(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc4)cccc32)cc1
InChIInChI=1S/C85H64N2.C60H47N/c1-83(2)76-34-17-14-30-71(76)73-52-50-68(55-80(73)83)87(69-51-53-74-72-31-15-18-35-77(72)84(3,4)81(74)56-69)66-48-42-61(43-49-66)70-33-21-37-79-82(70)75-32-16-19-36-78(75)85(79,62-26-12-7-13-27-62)63-28-20-29-67(54-63)86(64-44-38-59(39-45-64)57-22-8-5-9-23-57)65-46-40-60(41-47-65)58-24-10-6-11-25-58;1-40-26-31-45(32-27-40)60(4)54-24-15-22-49(58(54)52-36-30-44(38-56(52)60)41-16-7-5-8-17-41)43-28-33-46(34-29-43)61(57-25-14-12-20-48(57)42-18-9-6-10-19-42)47-35-37-51-50-21-11-13-23-53(50)59(2,3)55(51)39-47/h5-56H,1-4H3;5-39H,1-4H3
InChIKeyMPMSMMUPQPQQMG-UHFFFAOYSA-N
XLogP38.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms148
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001895.50
LogP ≤ 538.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine (CID 159633994) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.Cc1ccc(C2(C)c3cc(-c4ccccc4)ccc3-c3c(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc4)cccc32)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is MPMSMMUPQPQQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H64N2.C60H47N/c1-83(2)76-34-17-14-30-71(76)73-52-50-68(55-80(73)83)87(69-51-53-74-72-31-15-18-35-77(72)84(3,4)81(74)56-69)66-48-42-61(43-49-66)70-33-21-37-79-82(70)75-32-16-19-36-78(75)85(79,62-26-12-7-13-27-62)63-28-20-29-67(54-63)86(64-44-38-59(39-45-64)57-22-8-5-9-23-57)65-46-40-60(41-47-65)58-24-10-6-11-25-58;1-40-26-31-45(32-27-40)60(4)54-24-15-22-49(58(54)52-36-30-44(38-56(52)60)41-16-7-5-8-17-41)43-28-33-46(34-29-43)61(57-25-14-12-20-48(57)42-18-9-6-10-19-42)47-35-37-51-50-21-11-13-23-53(50)59(2,3)55(51)39-47/h5-56H,1-4H3;5-39H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 1895.50 g/mol, XLogP of 38.71, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-4-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[9-methyl-9-(4-methylphenyl)-7-phenylfluoren-4-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 159633994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).