9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine

C61H49N — CID 177067313

IUPAC9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
SMILESCCCc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)cc1
InChIInChI=1S/C61H49N/c1-4-15-44-28-34-49(35-29-44)62(50-36-38-54-52-20-11-13-22-56(52)60(58(54)40-50,45-16-7-5-8-17-45)47-30-24-42(2)25-31-47)51-37-39-55-53-21-12-14-23-57(53)61(59(55)41-51,46-18-9-6-10-19-46)48-32-26-43(3)27-33-48/h5-14,16-41H,4,15H2,1-3H3
InChIKeyNSCMEKXMZGOLNO-UHFFFAOYSA-N
MW796.07 g/mol
LogP15.45
Rot. Bonds9

About 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine

9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine (PubChem CID 177067313) has the molecular formula C61H49N and a molecular weight of 796.07 g/mol. Its IUPAC name is 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
PubChem CID177067313
Molecular FormulaC61H49N
Molecular Weight796.07 g/mol
Exact Mass795.39
IUPAC Name9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine
SMILESCCCc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)cc1
InChIInChI=1S/C61H49N/c1-4-15-44-28-34-49(35-29-44)62(50-36-38-54-52-20-11-13-22-56(52)60(58(54)40-50,45-16-7-5-8-17-45)47-30-24-42(2)25-31-47)51-37-39-55-53-21-12-14-23-57(53)61(59(55)41-51,46-18-9-6-10-19-46)48-32-26-43(3)27-33-48/h5-14,16-41H,4,15H2,1-3H3
InChIKeyNSCMEKXMZGOLNO-UHFFFAOYSA-N
XLogP15.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.07
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 146414854
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
CID 139762426
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N,N-bis[9-phenyl-9-(4-propylphenyl)fluoren-2-yl]-1-benzothiophen-5-amine
CID 177099043
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-[4-(2,5-dimethylphenyl)phenyl]-N-[4-(4-propylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 163511645
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
CID 154985556
N-(4-tert-butylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-fluorophenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 162199344
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine?
The IUPAC name of 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine (CID 177067313) is 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine?
The canonical SMILES for 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine is CCCc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C)cc2)c2ccccc2-3)cc1.
What is the InChIKey of 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine?
The InChIKey is NSCMEKXMZGOLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N/c1-4-15-44-28-34-49(35-29-44)62(50-36-38-54-52-20-11-13-22-56(52)60(58(54)40-50,45-16-7-5-8-17-45)47-30-24-42(2)25-31-47)51-37-39-55-53-21-12-14-23-57(53)61(59(55)41-51,46-18-9-6-10-19-46)48-32-26-43(3)27-33-48/h5-14,16-41H,4,15H2,1-3H3.
What are the key properties of 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine?
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine has a molecular weight of 796.07 g/mol, XLogP of 15.45, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-propylphenyl)fluoren-2-amine is sourced from PubChem (CID 177067313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).