2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C72H50N2 — CID 170304285

IUPAC2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cccc21
InChIInChI=1S/C72H50N2/c1-72(52-29-7-3-8-30-52)64-43-15-11-37-63(64)70-61(41-23-44-65(70)72)58-35-13-17-46-67(58)73(66-45-16-12-34-57(66)60-40-21-27-50-26-20-38-55(69(50)60)49-24-5-2-6-25-49)54-33-19-28-51(48-54)56-39-22-42-62-59-36-14-18-47-68(59)74(71(56)62)53-31-9-4-10-32-53/h2-48H,1H3
InChIKeyNMOYOBSJIMBJJU-UHFFFAOYSA-N
MW943.21 g/mol
LogP19.41
Rot. Bonds9

About 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170304285) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170304285
Molecular FormulaC72H50N2
Molecular Weight943.21 g/mol
Exact Mass942.40
IUPAC Name2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cccc21
InChIInChI=1S/C72H50N2/c1-72(52-29-7-3-8-30-52)64-43-15-11-37-63(64)70-61(41-23-44-65(70)72)58-35-13-17-46-67(58)73(66-45-16-12-34-57(66)60-40-21-27-50-26-20-38-55(69(50)60)49-24-5-2-6-25-49)54-33-19-28-51(48-54)56-39-22-42-62-59-36-14-18-47-68(59)74(71(56)62)53-31-9-4-10-32-53/h2-48H,1H3
InChIKeyNMOYOBSJIMBJJU-UHFFFAOYSA-N
XLogP19.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.21
LogP ≤ 519.41
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
9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170304172
2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304374
9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170304175
9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304169
N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119206
N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112904
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298651
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298566
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-(3-dibenzofuran-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170298498
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170298333

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170304285) is 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cccc21.
What is the InChIKey of 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is NMOYOBSJIMBJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-72(52-29-7-3-8-30-52)64-43-15-11-37-63(64)70-61(41-23-44-65(70)72)58-35-13-17-46-67(58)73(66-45-16-12-34-57(66)60-40-21-27-50-26-20-38-55(69(50)60)49-24-5-2-6-25-49)54-33-19-28-51(48-54)56-39-22-42-62-59-36-14-18-47-68(59)74(71(56)62)53-31-9-4-10-32-53/h2-48H,1H3.
What are the key properties of 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 943.21 g/mol, XLogP of 19.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170304285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).