5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine

C77H54N2 — CID 177098577

IUPAC5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESc1ccc(-c2cccc3c2-c2ccc(N(c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc5ccccc5c4-c4ccccc4)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C77H54N2/c1-7-22-59(23-8-1)70-36-21-37-72-76(70)71-52-51-68(54-73(71)77(72,62-27-11-3-12-28-62)63-29-13-4-14-30-63)79(74-53-46-60-24-19-20-35-69(60)75(74)61-25-9-2-10-26-61)67-49-44-58(45-50-67)56-40-38-55(39-41-56)57-42-47-66(48-43-57)78(64-31-15-5-16-32-64)65-33-17-6-18-34-65/h1-54H
InChIKeyZVEHLLVBXUTLQO-UHFFFAOYSA-N
MW1007.29 g/mol
LogP20.81
Rot. Bonds12

About 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine

5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine (PubChem CID 177098577) has the molecular formula C77H54N2 and a molecular weight of 1007.29 g/mol. Its IUPAC name is 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound Name5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
PubChem CID177098577
Molecular FormulaC77H54N2
Molecular Weight1007.29 g/mol
Exact Mass1006.43
IUPAC Name5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
SMILESc1ccc(-c2cccc3c2-c2ccc(N(c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc5ccccc5c4-c4ccccc4)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C77H54N2/c1-7-22-59(23-8-1)70-36-21-37-72-76(70)71-52-51-68(54-73(71)77(72,62-27-11-3-12-28-62)63-29-13-4-14-30-63)79(74-53-46-60-24-19-20-35-69(60)75(74)61-25-9-2-10-26-61)67-49-44-58(45-50-67)56-40-38-55(39-41-56)57-42-47-66(48-43-57)78(64-31-15-5-16-32-64)65-33-17-6-18-34-65/h1-54H
InChIKeyZVEHLLVBXUTLQO-UHFFFAOYSA-N
XLogP20.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.29
LogP ≤ 520.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163464467
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048535
7,7-diphenyl-N,N-bis(4-phenylphenyl)benzo[c]fluoren-4-amine;N-(9,9-diphenylfluoren-2-yl)-N,7,7-triphenylbenzo[c]fluoren-11-amine;N,N,7,7-tetraphenylbenzo[c]fluoren-4-amine;N,7,7-triphenyl-N-(4-phenylphenyl)benzo[c]fluoren-4-amine
CID 160577595
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 169019991
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016

Frequently Asked Questions

What is the IUPAC name of 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine (CID 177098577) is 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine is c1ccc(-c2cccc3c2-c2ccc(N(c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c4ccc5ccccc5c4-c4ccccc4)cc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine?
The InChIKey is ZVEHLLVBXUTLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N2/c1-7-22-59(23-8-1)70-36-21-37-72-76(70)71-52-51-68(54-73(71)77(72,62-27-11-3-12-28-62)63-29-13-4-14-30-63)79(74-53-46-60-24-19-20-35-69(60)75(74)61-25-9-2-10-26-61)67-49-44-58(45-50-67)56-40-38-55(39-41-56)57-42-47-66(48-43-57)78(64-31-15-5-16-32-64)65-33-17-6-18-34-65/h1-54H.
What are the key properties of 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine?
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine has a molecular weight of 1007.29 g/mol, XLogP of 20.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 177098577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).