N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine

C67H53N — CID 142604953

IUPACN-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine
SMILESCc1cc(-c2ccc(-c3ccccc3)c3c2-c2ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccccc5)cc4C)cc2C3(C)c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C67H53N/c1-44-40-50(30-34-54(44)47-22-12-7-13-23-47)55-37-38-56(48-24-14-8-15-25-48)65-64(55)59-36-33-53(43-62(59)67(65,5)51-26-16-9-17-27-51)68(63-39-31-49(41-45(63)2)46-20-10-6-11-21-46)52-32-35-58-57-28-18-19-29-60(57)66(3,4)61(58)42-52/h6-43H,1-5H3
InChIKeyOOKGWRZKRWNQAP-UHFFFAOYSA-N
MW872.17 g/mol
LogP18.08
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine (PubChem CID 142604953) has the molecular formula C67H53N and a molecular weight of 872.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine
PubChem CID142604953
Molecular FormulaC67H53N
Molecular Weight872.17 g/mol
Exact Mass871.42
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine
SMILESCc1cc(-c2ccc(-c3ccccc3)c3c2-c2ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccccc5)cc4C)cc2C3(C)c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C67H53N/c1-44-40-50(30-34-54(44)47-22-12-7-13-23-47)55-37-38-56(48-24-14-8-15-25-48)65-64(55)59-36-33-53(43-62(59)67(65,5)51-26-16-9-17-27-51)68(63-39-31-49(41-45(63)2)46-20-10-6-11-21-46)52-32-35-58-57-28-18-19-29-60(57)66(3,4)61(58)42-52/h6-43H,1-5H3
InChIKeyOOKGWRZKRWNQAP-UHFFFAOYSA-N
XLogP18.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.17
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221133
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-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N,4-N,4-N-tetrakis(9,9-dimethylfluoren-2-yl)-2-methylbenzene-1,4-diamine
CID 158320623
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 158351928
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine (CID 142604953) is N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine is Cc1cc(-c2ccc(-c3ccccc3)c3c2-c2ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccccc5)cc4C)cc2C3(C)c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine?
The InChIKey is OOKGWRZKRWNQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N/c1-44-40-50(30-34-54(44)47-22-12-7-13-23-47)55-37-38-56(48-24-14-8-15-25-48)65-64(55)59-36-33-53(43-62(59)67(65,5)51-26-16-9-17-27-51)68(63-39-31-49(41-45(63)2)46-20-10-6-11-21-46)52-32-35-58-57-28-18-19-29-60(57)66(3,4)61(58)42-52/h6-43H,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine has a molecular weight of 872.17 g/mol, XLogP of 18.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(2-methyl-4-phenylphenyl)-5-(3-methyl-4-phenylphenyl)-8,9-diphenylfluoren-2-amine is sourced from PubChem (CID 142604953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).