N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline

C80H54N2 — CID 170664617

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2cccc3c(-c4ccc(N(c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)c5cccc(-c6cccc7c(-c8ccccc8-c8ccccc8)cccc67)c5)cc4)cccc23)cc1
InChIInChI=1S/C80H54N2/c1-3-22-55(23-4-1)63-28-7-9-31-68(63)72-41-20-37-70-65(35-18-39-74(70)72)57-46-50-60(51-47-57)81(61-52-48-58(49-53-61)67-30-11-14-43-78(67)82-79-44-15-12-33-76(79)77-34-13-16-45-80(77)82)62-27-17-26-59(54-62)66-36-19-40-75-71(66)38-21-42-73(75)69-32-10-8-29-64(69)56-24-5-2-6-25-56/h1-54H
InChIKeyGKHGBVLGBAPDRT-UHFFFAOYSA-N
MW1043.33 g/mol
LogP22.23
Rot. Bonds11

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline (PubChem CID 170664617) has the molecular formula C80H54N2 and a molecular weight of 1043.33 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline
PubChem CID170664617
Molecular FormulaC80H54N2
Molecular Weight1043.33 g/mol
Exact Mass1042.43
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2cccc3c(-c4ccc(N(c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)c5cccc(-c6cccc7c(-c8ccccc8-c8ccccc8)cccc67)c5)cc4)cccc23)cc1
InChIInChI=1S/C80H54N2/c1-3-22-55(23-4-1)63-28-7-9-31-68(63)72-41-20-37-70-65(35-18-39-74(70)72)57-46-50-60(51-47-57)81(61-52-48-58(49-53-61)67-30-11-14-43-78(67)82-79-44-15-12-33-76(79)77-34-13-16-45-80(77)82)62-27-17-26-59(54-62)66-36-19-40-75-71(66)38-21-42-73(75)69-32-10-8-29-64(69)56-24-5-2-6-25-56/h1-54H
InChIKeyGKHGBVLGBAPDRT-UHFFFAOYSA-N
XLogP22.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.33
LogP ≤ 522.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
3-(2-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467805
4-(2-carbazol-9-ylphenyl)-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 167528490
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline
CID 167322731
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline (CID 170664617) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline is c1ccc(-c2ccccc2-c2cccc3c(-c4ccc(N(c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)c5cccc(-c6cccc7c(-c8ccccc8-c8ccccc8)cccc67)c5)cc4)cccc23)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline?
The InChIKey is GKHGBVLGBAPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N2/c1-3-22-55(23-4-1)63-28-7-9-31-68(63)72-41-20-37-70-65(35-18-39-74(70)72)57-46-50-60(51-47-57)81(61-52-48-58(49-53-61)67-30-11-14-43-78(67)82-79-44-15-12-33-76(79)77-34-13-16-45-80(77)82)62-27-17-26-59(54-62)66-36-19-40-75-71(66)38-21-42-73(75)69-32-10-8-29-64(69)56-24-5-2-6-25-56/h1-54H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline has a molecular weight of 1043.33 g/mol, XLogP of 22.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-[5-(2-phenylphenyl)naphthalen-1-yl]-N-[4-[5-(2-phenylphenyl)naphthalen-1-yl]phenyl]aniline is sourced from PubChem (CID 170664617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).