N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine

C74H51N — CID 121381614

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c2)cc1
InChIInChI=1S/C74H51N/c1-6-23-52(24-7-1)55-49-56(53-25-8-2-9-26-53)51-57(50-55)54-41-45-62(46-42-54)75(63-47-43-61(44-48-63)73(58-27-10-3-11-28-58)68-37-19-16-33-64(68)65-34-17-20-38-69(65)73)71-40-22-36-67-66-35-18-21-39-70(66)74(72(67)71,59-29-12-4-13-30-59)60-31-14-5-15-32-60/h1-51H
InChIKeyZNEHWEIGFCTHFQ-UHFFFAOYSA-N
MW954.23 g/mol
LogP18.88
Rot. Bonds10

About N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine

N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine (PubChem CID 121381614) has the molecular formula C74H51N and a molecular weight of 954.23 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
PubChem CID121381614
Molecular FormulaC74H51N
Molecular Weight954.23 g/mol
Exact Mass953.40
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c2)cc1
InChIInChI=1S/C74H51N/c1-6-23-52(24-7-1)55-49-56(53-25-8-2-9-26-53)51-57(50-55)54-41-45-62(46-42-54)75(63-47-43-61(44-48-63)73(58-27-10-3-11-28-58)68-37-19-16-33-64(68)65-34-17-20-38-69(65)73)71-40-22-36-67-66-35-18-21-39-70(66)74(72(67)71,59-29-12-4-13-30-59)60-31-14-5-15-32-60/h1-51H
InChIKeyZNEHWEIGFCTHFQ-UHFFFAOYSA-N
XLogP18.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.23
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(3-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-1-amine;9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 161362577
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine
CID 121381740
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
3-N-(9,9-diphenylfluoren-3-yl)-1-N,1-N-diphenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-1-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 161236726
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167649293
N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine
CID 167260563
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine (CID 121381614) is N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)c4cccc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine?
The InChIKey is ZNEHWEIGFCTHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N/c1-6-23-52(24-7-1)55-49-56(53-25-8-2-9-26-53)51-57(50-55)54-41-45-62(46-42-54)75(63-47-43-61(44-48-63)73(58-27-10-3-11-28-58)68-37-19-16-33-64(68)65-34-17-20-38-69(65)73)71-40-22-36-67-66-35-18-21-39-70(66)74(72(67)71,59-29-12-4-13-30-59)60-31-14-5-15-32-60/h1-51H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine?
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine has a molecular weight of 954.23 g/mol, XLogP of 18.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine is sourced from PubChem (CID 121381614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).