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

C54H43N — CID 169039643

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C4(C)C)cc21
InChIInChI=1S/C54H43N/c1-53(2)49-30-28-41(34-47(49)52-44(24-16-26-50(52)53)38-21-12-7-13-22-38)55(42-27-29-46-45-23-14-15-25-48(45)54(3,4)51(46)35-42)43-32-39(36-17-8-5-9-18-36)31-40(33-43)37-19-10-6-11-20-37/h5-35H,1-4H3
InChIKeyZIZJFSKILLRWOH-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.77
Rot. Bonds6

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

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine (PubChem CID 169039643) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
PubChem CID169039643
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C4(C)C)cc21
InChIInChI=1S/C54H43N/c1-53(2)49-30-28-41(34-47(49)52-44(24-16-26-50(52)53)38-21-12-7-13-22-38)55(42-27-29-46-45-23-14-15-25-48(45)54(3,4)51(46)35-42)43-32-39(36-17-8-5-9-18-36)31-40(33-43)37-19-10-6-11-20-37/h5-35H,1-4H3
InChIKeyZIZJFSKILLRWOH-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
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
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286731
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 167285837
N-(3-chloro-5-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 167133358
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline;3-(9,9-dimethylfluoren-2-yl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 163849561

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine (CID 169039643) is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3c(-c5ccccc5)cccc3C4(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine?
The InChIKey is ZIZJFSKILLRWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-53(2)49-30-28-41(34-47(49)52-44(24-16-26-50(52)53)38-21-12-7-13-22-38)55(42-27-29-46-45-23-14-15-25-48(45)54(3,4)51(46)35-42)43-32-39(36-17-8-5-9-18-36)31-40(33-43)37-19-10-6-11-20-37/h5-35H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine has a molecular weight of 705.95 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9-dimethyl-5-phenylfluoren-3-amine is sourced from PubChem (CID 169039643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).