N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine

C75H51N — CID 121423447

IUPACN-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C75H51N/c1-7-26-52(27-8-1)73(53-28-9-2-10-29-53)65-41-22-19-38-60(65)63-50-58(46-48-68(63)73)76(59-47-49-69-64(51-59)61-39-20-23-42-66(61)74(69,54-30-11-3-12-31-54)55-32-13-4-14-33-55)71-45-25-44-70-72(71)62-40-21-24-43-67(62)75(70,56-34-15-5-16-35-56)57-36-17-6-18-37-57/h1-51H
InChIKeyHDSFBVXZSUMZEZ-UHFFFAOYSA-N
MW966.24 g/mol
LogP18.25
Rot. Bonds9

About N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine

N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine (PubChem CID 121423447) has the molecular formula C75H51N and a molecular weight of 966.24 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
PubChem CID121423447
Molecular FormulaC75H51N
Molecular Weight966.24 g/mol
Exact Mass965.40
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C75H51N/c1-7-26-52(27-8-1)73(53-28-9-2-10-29-53)65-41-22-19-38-60(65)63-50-58(46-48-68(63)73)76(59-47-49-69-64(51-59)61-39-20-23-42-66(61)74(69,54-30-11-3-12-31-54)55-32-13-4-14-33-55)71-45-25-44-70-72(71)62-40-21-24-43-67(62)75(70,56-34-15-5-16-35-56)57-36-17-6-18-37-57/h1-51H
InChIKeyHDSFBVXZSUMZEZ-UHFFFAOYSA-N
XLogP18.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.24
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423683
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 159770549
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 170143599
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423691
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168789109
N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423694
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 134487997
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine (CID 121423447) is N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine?
The InChIKey is HDSFBVXZSUMZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N/c1-7-26-52(27-8-1)73(53-28-9-2-10-29-53)65-41-22-19-38-60(65)63-50-58(46-48-68(63)73)76(59-47-49-69-64(51-59)61-39-20-23-42-66(61)74(69,54-30-11-3-12-31-54)55-32-13-4-14-33-55)71-45-25-44-70-72(71)62-40-21-24-43-67(62)75(70,56-34-15-5-16-35-56)57-36-17-6-18-37-57/h1-51H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine?
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine has a molecular weight of 966.24 g/mol, XLogP of 18.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 121423447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).