N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline

C76H56N6 — CID 90057927

IUPACN,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline
SMILESc1ccc(-n2cccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6cccn6-c6ccccc6)cc5)c5ccc(-c6cccn6-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4cccn4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C76H56N6/c1-5-17-63(18-6-1)77-53-13-25-73(77)59-33-45-69(46-34-59)81(70-47-35-60(36-48-70)74-26-14-54-78(74)64-19-7-2-8-20-64)67-41-29-57(30-42-67)58-31-43-68(44-32-58)82(71-49-37-61(38-50-71)75-27-15-55-79(75)65-21-9-3-10-22-65)72-51-39-62(40-52-72)76-28-16-56-80(76)66-23-11-4-12-24-66/h1-56H
InChIKeyNUQYUQFXAIYCPD-UHFFFAOYSA-N
MW1053.33 g/mol
LogP20.12
Rot. Bonds15

About N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline

N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline (PubChem CID 90057927) has the molecular formula C76H56N6 and a molecular weight of 1053.33 g/mol. Its IUPAC name is N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline.

Molecular Properties

Compound NameN,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline
PubChem CID90057927
Molecular FormulaC76H56N6
Molecular Weight1053.33 g/mol
Exact Mass1052.46
IUPAC NameN,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline
SMILESc1ccc(-n2cccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6cccn6-c6ccccc6)cc5)c5ccc(-c6cccn6-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4cccn4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C76H56N6/c1-5-17-63(18-6-1)77-53-13-25-73(77)59-33-45-69(46-34-59)81(70-47-35-60(36-48-70)74-26-14-54-78(74)64-19-7-2-8-20-64)67-41-29-57(30-42-67)58-31-43-68(44-32-58)82(71-49-37-61(38-50-71)75-27-15-55-79(75)65-21-9-3-10-22-65)72-51-39-62(40-52-72)76-28-16-56-80(76)66-23-11-4-12-24-66/h1-56H
InChIKeyNUQYUQFXAIYCPD-UHFFFAOYSA-N
XLogP20.12
TPSA26.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.33
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline?
The IUPAC name of N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline (CID 90057927) is N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline.
What is the SMILES notation for N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline?
The canonical SMILES for N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline is c1ccc(-n2cccc2-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6cccn6-c6ccccc6)cc5)c5ccc(-c6cccn6-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4cccn4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline?
The InChIKey is NUQYUQFXAIYCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N6/c1-5-17-63(18-6-1)77-53-13-25-73(77)59-33-45-69(46-34-59)81(70-47-35-60(36-48-70)74-26-14-54-78(74)64-19-7-2-8-20-64)67-41-29-57(30-42-67)58-31-43-68(44-32-58)82(71-49-37-61(38-50-71)75-27-15-55-79(75)65-21-9-3-10-22-65)72-51-39-62(40-52-72)76-28-16-56-80(76)66-23-11-4-12-24-66/h1-56H.
What are the key properties of N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline?
N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline has a molecular weight of 1053.33 g/mol, XLogP of 20.12, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1-phenylpyrrol-2-yl)phenyl]-4-[4-[4-(1-phenylpyrrol-2-yl)-N-[4-(1-phenylpyrrol-2-yl)phenyl]anilino]phenyl]aniline is sourced from PubChem (CID 90057927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).