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

C72H50N2 — CID 170304295

IUPACN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C72H50N2/c1-72(53-25-7-3-8-26-53)65-37-14-11-31-64(65)70-58(33-20-38-66(70)72)50-41-45-55(46-42-50)73(67-39-15-12-29-60(67)62-35-18-24-52-23-17-32-57(69(52)62)49-21-5-2-6-22-49)56-47-43-51(44-48-56)59-34-19-36-63-61-30-13-16-40-68(61)74(71(59)63)54-27-9-4-10-28-54/h2-48H,1H3
InChIKeyQCPCVGIEOUIXRY-UHFFFAOYSA-N
MW943.21 g/mol
LogP19.41
Rot. Bonds9

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

N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170304295) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170304295
Molecular FormulaC72H50N2
Molecular Weight943.21 g/mol
Exact Mass942.40
IUPAC NameN-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21
InChIInChI=1S/C72H50N2/c1-72(53-25-7-3-8-26-53)65-37-14-11-31-64(65)70-58(33-20-38-66(70)72)50-41-45-55(46-42-50)73(67-39-15-12-29-60(67)62-35-18-24-52-23-17-32-57(69(52)62)49-21-5-2-6-22-49)56-47-43-51(44-48-56)59-34-19-36-63-61-30-13-16-40-68(61)74(71(59)63)54-27-9-4-10-28-54/h2-48H,1H3
InChIKeyQCPCVGIEOUIXRY-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

2-(9-methyl-9-phenylfluoren-4-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304285
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-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304169
N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112904
9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170304175
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170304142
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291648
9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303937
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170304496
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298758

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170304295) is N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is CC1(c2ccccc2)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)cc3)cccc21.
What is the InChIKey of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is QCPCVGIEOUIXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-72(53-25-7-3-8-26-53)65-37-14-11-31-64(65)70-58(33-20-38-66(70)72)50-41-45-55(46-42-50)73(67-39-15-12-29-60(67)62-35-18-24-52-23-17-32-57(69(52)62)49-21-5-2-6-22-49)56-47-43-51(44-48-56)59-34-19-36-63-61-30-13-16-40-68(61)74(71(59)63)54-27-9-4-10-28-54/h2-48H,1H3.
What are the key properties of N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)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 N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170304295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).