N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine

C51H43N — CID 169039545

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C51H43N/c1-49(2)44-28-25-33(29-41(44)48-36(19-14-22-45(48)49)32-15-8-7-9-16-32)52(34-23-26-39-37-17-10-12-20-42(37)50(3,4)46(39)30-34)35-24-27-40-38-18-11-13-21-43(38)51(5,6)47(40)31-35/h7-31H,1-6H3
InChIKeyBCCDOKJYEBGELY-UHFFFAOYSA-N
MW669.91 g/mol
LogP13.74
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine (PubChem CID 169039545) has the molecular formula C51H43N and a molecular weight of 669.91 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
PubChem CID169039545
Molecular FormulaC51H43N
Molecular Weight669.91 g/mol
Exact Mass669.34
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C51H43N/c1-49(2)44-28-25-33(29-41(44)48-36(19-14-22-45(48)49)32-15-8-7-9-16-32)52(34-23-26-39-37-17-10-12-20-42(37)50(3,4)46(39)30-34)35-24-27-40-38-18-11-13-21-43(38)51(5,6)47(40)31-35/h7-31H,1-6H3
InChIKeyBCCDOKJYEBGELY-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.91
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039643
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 167285837
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541107
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
N-[3-[10-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169284348

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine (CID 169039545) is N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine?
The InChIKey is BCCDOKJYEBGELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N/c1-49(2)44-28-25-33(29-41(44)48-36(19-14-22-45(48)49)32-15-8-7-9-16-32)52(34-23-26-39-37-17-10-12-20-42(37)50(3,4)46(39)30-34)35-24-27-40-38-18-11-13-21-43(38)51(5,6)47(40)31-35/h7-31H,1-6H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine has a molecular weight of 669.91 g/mol, XLogP of 13.74, 4 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-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine is sourced from PubChem (CID 169039545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).