N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C48H48N2 — CID 174318657

IUPACN-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(C(C)(C)C(C)(C)Nc5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C48H48N2/c1-45(2)41-15-11-9-13-37(41)39-27-25-35(29-43(39)45)49-34-23-19-32(20-24-34)31-17-21-33(22-18-31)47(5,6)48(7,8)50-36-26-28-40-38-14-10-12-16-42(38)46(3,4)44(40)30-36/h9-30,49-50H,1-8H3
InChIKeyGNSGCOKFRQAVNQ-UHFFFAOYSA-N
MW652.93 g/mol
LogP12.88
Rot. Bonds7

About N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 174318657) has the molecular formula C48H48N2 and a molecular weight of 652.93 g/mol. Its IUPAC name is N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID174318657
Molecular FormulaC48H48N2
Molecular Weight652.93 g/mol
Exact Mass652.38
IUPAC NameN-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(C(C)(C)C(C)(C)Nc5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C48H48N2/c1-45(2)41-15-11-9-13-37(41)39-27-25-35(29-43(39)45)49-34-23-19-32(20-24-34)31-17-21-33(22-18-31)47(5,6)48(7,8)50-36-26-28-40-38-14-10-12-16-42(38)46(3,4)44(40)30-36/h9-30,49-50H,1-8H3
InChIKeyGNSGCOKFRQAVNQ-UHFFFAOYSA-N
XLogP12.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.93
LogP ≤ 512.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-(4-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
CID 144628230
CID 144628230
N-(4-dibenzo-p-dioxin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 126629843
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 174318657) is N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(C(C)(C)C(C)(C)Nc5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.
What is the InChIKey of N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is GNSGCOKFRQAVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N2/c1-45(2)41-15-11-9-13-37(41)39-27-25-35(29-43(39)45)49-34-23-19-32(20-24-34)31-17-21-33(22-18-31)47(5,6)48(7,8)50-36-26-28-40-38-14-10-12-16-42(38)46(3,4)44(40)30-36/h9-30,49-50H,1-8H3.
What are the key properties of N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 652.93 g/mol, XLogP of 12.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-[(9,9-dimethylfluoren-2-yl)amino]-2,3-dimethylbutan-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 174318657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).