2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C77H52N2 — CID 170304374

IUPAC2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1
InChIInChI=1S/C77H52N2/c1-5-25-53(26-6-1)60-39-21-27-55-28-22-41-65(74(55)60)62-35-14-18-46-71(62)78(59-51-49-54(50-52-59)61-40-23-43-67-64-37-16-20-48-73(64)79(76(61)67)58-33-11-4-12-34-58)72-47-19-15-36-63(72)66-42-24-45-70-75(66)68-38-13-17-44-69(68)77(70,56-29-7-2-8-30-56)57-31-9-3-10-32-57/h1-52H
InChIKeyYPHOPCMPLJWHHH-UHFFFAOYSA-N
MW1005.28 g/mol
LogP20.44
Rot. Bonds10

About 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170304374) has the molecular formula C77H52N2 and a molecular weight of 1005.28 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170304374
Molecular FormulaC77H52N2
Molecular Weight1005.28 g/mol
Exact Mass1004.41
IUPAC Name2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1
InChIInChI=1S/C77H52N2/c1-5-25-53(26-6-1)60-39-21-27-55-28-22-41-65(74(55)60)62-35-14-18-46-71(62)78(59-51-49-54(50-52-59)61-40-23-43-67-64-37-16-20-48-73(64)79(76(61)67)58-33-11-4-12-34-58)72-47-19-15-36-63(72)66-42-24-45-70-75(66)68-38-13-17-44-69(68)77(70,56-29-7-2-8-30-56)57-31-9-3-10-32-57/h1-52H
InChIKeyYPHOPCMPLJWHHH-UHFFFAOYSA-N
XLogP20.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.28
LogP ≤ 520.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170304295
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(9-phenylfluoren-9-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 168798245
2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304285
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304205
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298758
N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297506
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 155004211
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170304374) is 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is YPHOPCMPLJWHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52N2/c1-5-25-53(26-6-1)60-39-21-27-55-28-22-41-65(74(55)60)62-35-14-18-46-71(62)78(59-51-49-54(50-52-59)61-40-23-43-67-64-37-16-20-48-73(64)79(76(61)67)58-33-11-4-12-34-58)72-47-19-15-36-63(72)66-42-24-45-70-75(66)68-38-13-17-44-69(68)77(70,56-29-7-2-8-30-56)57-31-9-3-10-32-57/h1-52H.
What are the key properties of 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 1005.28 g/mol, XLogP of 20.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170304374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).