N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine

C66H51N — CID 170218178

IUPACN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C66H51N/c1-65(2)61-27-14-12-23-56(61)58-42-41-51(43-63(58)65)67(49-37-33-47(34-38-49)53-20-9-8-19-52(53)46-31-29-45(30-32-46)44-17-6-5-7-18-44)50-39-35-48(36-40-50)54-21-10-11-22-55(54)59-25-16-26-60-57-24-13-15-28-62(57)66(3,4)64(59)60/h5-43H,1-4H3
InChIKeyMXQPRQKLRHYNRL-UHFFFAOYSA-N
MW858.14 g/mol
LogP18.10
Rot. Bonds8

About N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 170218178) has the molecular formula C66H51N and a molecular weight of 858.14 g/mol. Its IUPAC name is N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
PubChem CID170218178
Molecular FormulaC66H51N
Molecular Weight858.14 g/mol
Exact Mass857.40
IUPAC NameN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C66H51N/c1-65(2)61-27-14-12-23-56(61)58-42-41-51(43-63(58)65)67(49-37-33-47(34-38-49)53-20-9-8-19-52(53)46-31-29-45(30-32-46)44-17-6-5-7-18-44)50-39-35-48(36-40-50)54-21-10-11-22-55(54)59-25-16-26-60-57-24-13-15-28-62(57)66(3,4)64(59)60/h5-43H,1-4H3
InChIKeyMXQPRQKLRHYNRL-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.14
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
6,6,12,12-tetramethyl-7-phenyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 138455813
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285414

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine (CID 170218178) is N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)cc21.
What is the InChIKey of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is MXQPRQKLRHYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N/c1-65(2)61-27-14-12-23-56(61)58-42-41-51(43-63(58)65)67(49-37-33-47(34-38-49)53-20-9-8-19-52(53)46-31-29-45(30-32-46)44-17-6-5-7-18-44)50-39-35-48(36-40-50)54-21-10-11-22-55(54)59-25-16-26-60-57-24-13-15-28-62(57)66(3,4)64(59)60/h5-43H,1-4H3.
What are the key properties of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine?
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 858.14 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 170218178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).