N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine

C63H45N — CID 121381269

IUPACN-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
SMILESCc1cc(-c2ccccc2)ccc1N(c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C63H45N/c1-44-42-46(45-20-6-2-7-21-45)34-41-61(44)64(51-37-35-50(36-38-51)62(47-22-8-3-9-23-47)57-31-17-14-28-53(57)54-29-15-18-32-58(54)62)52-39-40-56-55-30-16-19-33-59(55)63(60(56)43-52,48-24-10-4-11-25-48)49-26-12-5-13-27-49/h2-43H,1H3
InChIKeyZZAFHOKYXFTRMD-UHFFFAOYSA-N
MW816.06 g/mol
LogP15.86
Rot. Bonds8

About N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine

N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine (PubChem CID 121381269) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
PubChem CID121381269
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC NameN-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
SMILESCc1cc(-c2ccccc2)ccc1N(c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C63H45N/c1-44-42-46(45-20-6-2-7-21-45)34-41-61(44)64(51-37-35-50(36-38-51)62(47-22-8-3-9-23-47)57-31-17-14-28-53(57)54-29-15-18-32-58(54)62)52-39-40-56-55-30-16-19-33-59(55)63(60(56)43-52,48-24-10-4-11-25-48)49-26-12-5-13-27-49/h2-43H,1H3
InChIKeyZZAFHOKYXFTRMD-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(2-methyl-4-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 158108353
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118298346
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 159519598
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
4-[4-[4-(9,9-diphenylfluoren-2-yl)-N-(2-methylphenyl)anilino]-3,5-dimethylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-dimethyl-N-(2-methylphenyl)aniline
CID 121322897
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine (CID 121381269) is N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine is Cc1cc(-c2ccccc2)ccc1N(c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
The InChIKey is ZZAFHOKYXFTRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-44-42-46(45-20-6-2-7-21-45)34-41-61(44)64(51-37-35-50(36-38-51)62(47-22-8-3-9-23-47)57-31-17-14-28-53(57)54-29-15-18-32-58(54)62)52-39-40-56-55-30-16-19-33-59(55)63(60(56)43-52,48-24-10-4-11-25-48)49-26-12-5-13-27-49/h2-43H,1H3.
What are the key properties of N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine?
N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine has a molecular weight of 816.06 g/mol, XLogP of 15.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 121381269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).