4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline

C150H127N3 — CID 158190422

IUPAC4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline
SMILESCC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1.CC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4cccc(C(C)(C)C)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1.CC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C54H43N.C48H39N.C48H45N/c1-54(2,3)46-16-8-15-45(37-46)40-27-33-48(34-28-40)55(49-35-29-44(30-36-49)53-20-10-14-42-12-5-7-18-51(42)53)47-31-25-39(26-32-47)38-21-23-43(24-22-38)52-19-9-13-41-11-4-6-17-50(41)52;1-48(2,3)40-16-8-15-39(33-40)34-21-27-41(28-22-34)49(42-29-23-37(24-30-42)46-19-9-13-35-11-4-6-17-44(35)46)43-31-25-38(26-32-43)47-20-10-14-36-12-5-7-18-45(36)47;1-47(2,3)40-16-9-14-38(32-40)34-20-26-42(27-21-34)49(43-28-22-35(23-29-43)39-15-10-17-41(33-39)48(4,5)6)44-30-24-37(25-31-44)46-19-11-13-36-12-7-8-18-45(36)46/h4-37H,1-3H3;4-33H,1-3H3;7-33H,1-6H3
InChIKeyFZRLOUHBLCXJHR-UHFFFAOYSA-N
MW1971.69 g/mol
LogP43.10
Rot. Bonds19

About 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline

4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline (PubChem CID 158190422) has the molecular formula C150H127N3 and a molecular weight of 1971.69 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline
PubChem CID158190422
Molecular FormulaC150H127N3
Molecular Weight1971.69 g/mol
Exact Mass1970.00
IUPAC Name4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline
SMILESCC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1.CC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4cccc(C(C)(C)C)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1.CC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C54H43N.C48H39N.C48H45N/c1-54(2,3)46-16-8-15-45(37-46)40-27-33-48(34-28-40)55(49-35-29-44(30-36-49)53-20-10-14-42-12-5-7-18-51(42)53)47-31-25-39(26-32-47)38-21-23-43(24-22-38)52-19-9-13-41-11-4-6-17-50(41)52;1-48(2,3)40-16-8-15-39(33-40)34-21-27-41(28-22-34)49(42-29-23-37(24-30-42)46-19-9-13-35-11-4-6-17-44(35)46)43-31-25-38(26-32-43)47-20-10-14-36-12-5-7-18-45(36)47;1-47(2,3)40-16-9-14-38(32-40)34-20-26-42(27-21-34)49(43-28-22-35(23-29-43)39-15-10-17-41(33-39)48(4,5)6)44-30-24-37(25-31-44)46-19-11-13-36-12-7-8-18-45(36)46/h4-37H,1-3H3;4-33H,1-3H3;7-33H,1-6H3
InChIKeyFZRLOUHBLCXJHR-UHFFFAOYSA-N
XLogP43.10
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001971.69
LogP ≤ 543.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline with MolForge

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 144837312
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline (CID 158190422) is 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline is CC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1.CC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4cccc(C(C)(C)C)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1.CC(C)(C)c1cccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)c1.
What is the InChIKey of 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is FZRLOUHBLCXJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N.C48H39N.C48H45N/c1-54(2,3)46-16-8-15-45(37-46)40-27-33-48(34-28-40)55(49-35-29-44(30-36-49)53-20-10-14-42-12-5-7-18-51(42)53)47-31-25-39(26-32-47)38-21-23-43(24-22-38)52-19-9-13-41-11-4-6-17-50(41)52;1-48(2,3)40-16-8-15-39(33-40)34-21-27-41(28-22-34)49(42-29-23-37(24-30-42)46-19-9-13-35-11-4-6-17-44(35)46)43-31-25-38(26-32-43)47-20-10-14-36-12-5-7-18-45(36)47;1-47(2,3)40-16-9-14-38(32-40)34-20-26-42(27-21-34)49(43-28-22-35(23-29-43)39-15-10-17-41(33-39)48(4,5)6)44-30-24-37(25-31-44)46-19-11-13-36-12-7-8-18-45(36)46/h4-37H,1-3H3;4-33H,1-3H3;7-33H,1-6H3.
What are the key properties of 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline?
4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 1971.69 g/mol, XLogP of 43.10, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 158190422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).