N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine

C46H41N — CID 163882146

IUPACN,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc1-2
InChIInChI=1S/C46H41N/c1-28-16-20-34-35-21-17-31(27-43(35)46(6,7)42(34)24-28)47(29-18-22-40-36(25-29)32-12-8-10-14-38(32)44(40,2)3)30-19-23-41-37(26-30)33-13-9-11-15-39(33)45(41,4)5/h8-27H,1-7H3
InChIKeyPUEHGNHINYZHFO-UHFFFAOYSA-N
MW607.84 g/mol
LogP12.38
Rot. Bonds3

About N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine

N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine (PubChem CID 163882146) has the molecular formula C46H41N and a molecular weight of 607.84 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
PubChem CID163882146
Molecular FormulaC46H41N
Molecular Weight607.84 g/mol
Exact Mass607.32
IUPAC NameN,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc1-2
InChIInChI=1S/C46H41N/c1-28-16-20-34-35-21-17-31(27-43(35)46(6,7)42(34)24-28)47(29-18-22-40-36(25-29)32-12-8-10-14-38(32)44(40,2)3)30-19-23-41-37(26-30)33-13-9-11-15-39(33)45(41,4)5/h8-27H,1-7H3
InChIKeyPUEHGNHINYZHFO-UHFFFAOYSA-N
XLogP12.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.84
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 146644241
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
N-(3,5-dimethylphenyl)-2,7,10,10-tetramethyl-N-(2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-yl)spiro[anthracene-9,9'-fluorene]-2'-amine
CID 177067256
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
ethane;methane;2,9,9-trimethylfluorene
CID 144920604

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine (CID 163882146) is N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine is Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)-c3ccccc3C4(C)C)ccc1-2.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine?
The InChIKey is PUEHGNHINYZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N/c1-28-16-20-34-35-21-17-31(27-43(35)46(6,7)42(34)24-28)47(29-18-22-40-36(25-29)32-12-8-10-14-38(32)44(40,2)3)30-19-23-41-37(26-30)33-13-9-11-15-39(33)45(41,4)5/h8-27H,1-7H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine?
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine has a molecular weight of 607.84 g/mol, XLogP of 12.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine is sourced from PubChem (CID 163882146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).