N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

C63H47N — CID 168771647

IUPACN,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C63H47N/c1-63(2)59-32-16-15-27-57(59)58-42-41-52(43-60(58)63)64(50-37-33-48(34-38-50)61-53(44-19-7-3-8-20-44)28-17-29-54(61)45-21-9-4-10-22-45)51-39-35-49(36-40-51)62-55(46-23-11-5-12-24-46)30-18-31-56(62)47-25-13-6-14-26-47/h3-43H,1-2H3
InChIKeyXZAJXOPPLNEJGA-UHFFFAOYSA-N
MW818.08 g/mol
LogP17.46
Rot. Bonds9

About N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine

N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 168771647) has the molecular formula C63H47N and a molecular weight of 818.08 g/mol. Its IUPAC name is N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID168771647
Molecular FormulaC63H47N
Molecular Weight818.08 g/mol
Exact Mass817.37
IUPAC NameN,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C63H47N/c1-63(2)59-32-16-15-27-57(59)58-42-41-52(43-60(58)63)64(50-37-33-48(34-38-50)61-53(44-19-7-3-8-20-44)28-17-29-54(61)45-21-9-4-10-22-45)51-39-35-49(36-40-51)62-55(46-23-11-5-12-24-46)30-18-31-56(62)47-25-13-6-14-26-47/h3-43H,1-2H3
InChIKeyXZAJXOPPLNEJGA-UHFFFAOYSA-N
XLogP17.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.08
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166676983
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176598288
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
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-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 168771647) is N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc21.
What is the InChIKey of N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is XZAJXOPPLNEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47N/c1-63(2)59-32-16-15-27-57(59)58-42-41-52(43-60(58)63)64(50-37-33-48(34-38-50)61-53(44-19-7-3-8-20-44)28-17-29-54(61)45-21-9-4-10-22-45)51-39-35-49(36-40-51)62-55(46-23-11-5-12-24-46)30-18-31-56(62)47-25-13-6-14-26-47/h3-43H,1-2H3.
What are the key properties of N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine?
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 818.08 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168771647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).