4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline

C45H41N — CID 59307898

IUPAC4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline
SMILESCC(C)N(c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C45H41N/c1-29(2)46(34-21-15-30(16-22-34)32-19-25-38-36-11-7-9-13-40(36)44(3,4)42(38)27-32)35-23-17-31(18-24-35)33-20-26-39-37-12-8-10-14-41(37)45(5,6)43(39)28-33/h7-29H,1-6H3
InChIKeyQTMBCAKJYRVEKJ-UHFFFAOYSA-N
MW595.83 g/mol
LogP12.18
Rot. Bonds5

About 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline

4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline (PubChem CID 59307898) has the molecular formula C45H41N and a molecular weight of 595.83 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline
PubChem CID59307898
Molecular FormulaC45H41N
Molecular Weight595.83 g/mol
Exact Mass595.32
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline
SMILESCC(C)N(c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C45H41N/c1-29(2)46(34-21-15-30(16-22-34)32-19-25-38-36-11-7-9-13-40(36)44(3,4)42(38)27-32)35-23-17-31(18-24-35)33-20-26-39-37-12-8-10-14-41(37)45(5,6)43(39)28-33/h7-29H,1-6H3
InChIKeyQTMBCAKJYRVEKJ-UHFFFAOYSA-N
XLogP12.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.83
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline
CID 59307879
9,9-dimethyl-N,7-diphenyl-N-propan-2-ylfluoren-2-amine
CID 134509907
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-N-propan-2-ylaniline
CID 134551611
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-propan-2-ylfluoren-2-amine
CID 158936779
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
9,9-dimethyl-N-[1-(4-methylphenyl)ethyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135293630
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline (CID 59307898) is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline is CC(C)N(c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1)c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline?
The InChIKey is QTMBCAKJYRVEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41N/c1-29(2)46(34-21-15-30(16-22-34)32-19-25-38-36-11-7-9-13-40(36)44(3,4)42(38)27-32)35-23-17-31(18-24-35)33-20-26-39-37-12-8-10-14-41(37)45(5,6)43(39)28-33/h7-29H,1-6H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline?
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline has a molecular weight of 595.83 g/mol, XLogP of 12.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline is sourced from PubChem (CID 59307898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).