N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine

C124H84N4O2 — CID 161073690

IUPACN-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
SMILESCc1ccc(N(c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1.Cc1ccc(N(c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C65H44N2O.C59H40N2O/c1-43-24-33-51(34-25-43)66(60-41-32-49(44-14-5-2-6-15-44)42-58(60)45-16-7-3-8-17-45)52-35-26-46(27-36-52)53-37-28-47-30-39-57-59(40-31-48-29-38-55(53)63(47)64(48)57)67(50-18-9-4-10-19-50)61-22-13-21-56-54-20-11-12-23-62(54)68-65(56)61;1-39-23-31-45(32-24-39)60(53-20-10-8-17-48(53)40-13-4-2-5-14-40)46-33-25-41(26-34-46)47-35-27-42-29-37-52-54(38-30-43-28-36-50(47)57(42)58(43)52)61(44-15-6-3-7-16-44)55-21-12-19-51-49-18-9-11-22-56(49)62-59(51)55/h2-42H,1H3;2-38H,1H3
InChIKeyUEZFWXNOONJZEL-UHFFFAOYSA-N
MW1662.06 g/mol
LogP35.80
Rot. Bonds17

About N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine

N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine (PubChem CID 161073690) has the molecular formula C124H84N4O2 and a molecular weight of 1662.06 g/mol. Its IUPAC name is N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
PubChem CID161073690
Molecular FormulaC124H84N4O2
Molecular Weight1662.06 g/mol
Exact Mass1660.66
IUPAC NameN-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
SMILESCc1ccc(N(c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1.Cc1ccc(N(c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C65H44N2O.C59H40N2O/c1-43-24-33-51(34-25-43)66(60-41-32-49(44-14-5-2-6-15-44)42-58(60)45-16-7-3-8-17-45)52-35-26-46(27-36-52)53-37-28-47-30-39-57-59(40-31-48-29-38-55(53)63(47)64(48)57)67(50-18-9-4-10-19-50)61-22-13-21-56-54-20-11-12-23-62(54)68-65(56)61;1-39-23-31-45(32-24-39)60(53-20-10-8-17-48(53)40-13-4-2-5-14-40)46-33-25-41(26-34-46)47-35-27-42-29-37-52-54(38-30-43-28-36-50(47)57(42)58(43)52)61(44-15-6-3-7-16-44)55-21-12-19-51-49-18-9-11-22-56(49)62-59(51)55/h2-42H,1H3;2-38H,1H3
InChIKeyUEZFWXNOONJZEL-UHFFFAOYSA-N
XLogP35.80
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001662.06
LogP ≤ 535.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 159224268
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(3-phenyl-4-pyren-1-ylphenyl)phenyl]aniline
CID 155121240
N-[6-[4-(N-(2,4-diphenylphenyl)-4-phenylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-2-amine
CID 118012585
N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122592278
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 177080725
2-[3-(N-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]-2-phenylanilino)phenyl]phenol;ethane
CID 142298110
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine?
The IUPAC name of N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine (CID 161073690) is N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine?
The canonical SMILES for N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine is Cc1ccc(N(c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)cc1.Cc1ccc(N(c2ccc(-c3ccc4ccc5c(N(c6ccccc6)c6cccc7c6oc6ccccc67)ccc6ccc3c4c65)cc2)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine?
The InChIKey is UEZFWXNOONJZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O.C59H40N2O/c1-43-24-33-51(34-25-43)66(60-41-32-49(44-14-5-2-6-15-44)42-58(60)45-16-7-3-8-17-45)52-35-26-46(27-36-52)53-37-28-47-30-39-57-59(40-31-48-29-38-55(53)63(47)64(48)57)67(50-18-9-4-10-19-50)61-22-13-21-56-54-20-11-12-23-62(54)68-65(56)61;1-39-23-31-45(32-24-39)60(53-20-10-8-17-48(53)40-13-4-2-5-14-40)46-33-25-41(26-34-46)47-35-27-42-29-37-52-54(38-30-43-28-36-50(47)57(42)58(43)52)61(44-15-6-3-7-16-44)55-21-12-19-51-49-18-9-11-22-56(49)62-59(51)55/h2-42H,1H3;2-38H,1H3.
What are the key properties of N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine?
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1662.06 g/mol, XLogP of 35.80, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 161073690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).