N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine

C55H45N — CID 144907292

IUPACN-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine
SMILESCc1cccc(N(c2ccc3c(c2)-c2c(ccc(-c4ccccc4C)c2C)C3(C)C)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C55H45N/c1-36-17-16-23-41(33-36)56(42-28-31-49-48(34-42)53-38(3)45(30-32-51(53)54(49,4)5)44-24-13-12-18-37(44)2)43-27-29-47-46-25-14-15-26-50(46)55(52(47)35-43,39-19-8-6-9-20-39)40-21-10-7-11-22-40/h6-35H,1-5H3
InChIKeyDKWDUUQAGXANAL-UHFFFAOYSA-N
MW719.97 g/mol
LogP14.42
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine

N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine (PubChem CID 144907292) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine
PubChem CID144907292
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine
SMILESCc1cccc(N(c2ccc3c(c2)-c2c(ccc(-c4ccccc4C)c2C)C3(C)C)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1
InChIInChI=1S/C55H45N/c1-36-17-16-23-41(33-36)56(42-28-31-49-48(34-42)53-38(3)45(30-32-51(53)54(49,4)5)44-24-13-12-18-37(44)2)43-27-29-47-46-25-14-15-26-50(46)55(52(47)35-43,39-19-8-6-9-20-39)40-21-10-7-11-22-40/h6-35H,1-5H3
InChIKeyDKWDUUQAGXANAL-UHFFFAOYSA-N
XLogP14.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298477
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290189
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 137388127
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine
CID 167176307
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972931
N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538707
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine (CID 144907292) is N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine is Cc1cccc(N(c2ccc3c(c2)-c2c(ccc(-c4ccccc4C)c2C)C3(C)C)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine?
The InChIKey is DKWDUUQAGXANAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-36-17-16-23-41(33-36)56(42-28-31-49-48(34-42)53-38(3)45(30-32-51(53)54(49,4)5)44-24-13-12-18-37(44)2)43-27-29-47-46-25-14-15-26-50(46)55(52(47)35-43,39-19-8-6-9-20-39)40-21-10-7-11-22-40/h6-35H,1-5H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine?
N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine has a molecular weight of 719.97 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-5,9,9-trimethyl-6-(2-methylphenyl)-N-(3-methylphenyl)fluoren-3-amine is sourced from PubChem (CID 144907292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).