N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline

C45H46N2 — CID 58250828

IUPACN-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H46N2/c1-4-6-11-36-17-27-42(28-18-36)46(40-13-9-8-10-14-40)44-31-21-38(22-32-44)39-23-33-45(34-24-39)47(41-25-15-35(3)16-26-41)43-29-19-37(20-30-43)12-7-5-2/h8-10,13-34H,4-7,11-12H2,1-3H3
InChIKeyMIGIXNCFWGHYCI-UHFFFAOYSA-N
MW614.88 g/mol
LogP13.29
Rot. Bonds13

About N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline

N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline (PubChem CID 58250828) has the molecular formula C45H46N2 and a molecular weight of 614.88 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
PubChem CID58250828
Molecular FormulaC45H46N2
Molecular Weight614.88 g/mol
Exact Mass614.37
IUPAC NameN-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H46N2/c1-4-6-11-36-17-27-42(28-18-36)46(40-13-9-8-10-14-40)44-31-21-38(22-32-44)39-23-33-45(34-24-39)47(41-25-15-35(3)16-26-41)43-29-19-37(20-30-43)12-7-5-2/h8-10,13-34H,4-7,11-12H2,1-3H3
InChIKeyMIGIXNCFWGHYCI-UHFFFAOYSA-N
XLogP13.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.88
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
3-butylaniline;N-[4-(4-methylphenyl)phenyl]-N,4-diphenylaniline
CID 143269144
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline?
The IUPAC name of N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline (CID 58250828) is N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline?
The canonical SMILES for N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline is CCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline?
The InChIKey is MIGIXNCFWGHYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N2/c1-4-6-11-36-17-27-42(28-18-36)46(40-13-9-8-10-14-40)44-31-21-38(22-32-44)39-23-33-45(34-24-39)47(41-25-15-35(3)16-26-41)43-29-19-37(20-30-43)12-7-5-2/h8-10,13-34H,4-7,11-12H2,1-3H3.
What are the key properties of N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline?
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline has a molecular weight of 614.88 g/mol, XLogP of 13.29, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 58250828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).