4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane

C46H47N — CID 143972766

IUPAC4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
SMILESCC.CC.CC1(C)c2ccccc2-c2ccc(-c3ccc(Nc4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C42H35N.2C2H6/c1-41(2)37-11-7-5-9-33(37)35-23-17-29(25-39(35)41)27-13-19-31(20-14-27)43-32-21-15-28(16-22-32)30-18-24-36-34-10-6-8-12-38(34)42(3,4)40(36)26-30;2*1-2/h5-26,43H,1-4H3;2*1-2H3
InChIKeyBRJFGGCYRLVSNZ-UHFFFAOYSA-N
MW613.89 g/mol
LogP13.43
Rot. Bonds4

About 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane

4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane (PubChem CID 143972766) has the molecular formula C46H47N and a molecular weight of 613.89 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
PubChem CID143972766
Molecular FormulaC46H47N
Molecular Weight613.89 g/mol
Exact Mass613.37
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
SMILESCC.CC.CC1(C)c2ccccc2-c2ccc(-c3ccc(Nc4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C42H35N.2C2H6/c1-41(2)37-11-7-5-9-33(37)35-23-17-29(25-39(35)41)27-13-19-31(20-14-27)43-32-21-15-28(16-22-32)30-18-24-36-34-10-6-8-12-38(34)42(3,4)40(36)26-30;2*1-2/h5-26,43H,1-4H3;2*1-2H3
InChIKeyBRJFGGCYRLVSNZ-UHFFFAOYSA-N
XLogP13.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.89
LogP ≤ 513.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane with MolForge

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Related Compounds

9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
7-(4-anilinophenyl)-9,9-dimethylfluoren-2-amine
CID 142967651
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
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 126629843
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
N-(4-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
CID 143619792
CID 143619792

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane (CID 143972766) is 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane is CC.CC.CC1(C)c2ccccc2-c2ccc(-c3ccc(Nc4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane?
The InChIKey is BRJFGGCYRLVSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N.2C2H6/c1-41(2)37-11-7-5-9-33(37)35-23-17-29(25-39(35)41)27-13-19-31(20-14-27)43-32-21-15-28(16-22-32)30-18-24-36-34-10-6-8-12-38(34)42(3,4)40(36)26-30;2*1-2/h5-26,43H,1-4H3;2*1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane?
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane has a molecular weight of 613.89 g/mol, XLogP of 13.43, 4 rotatable bonds, 1 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]aniline;ethane is sourced from PubChem (CID 143972766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).