N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine

C104H64N2O3S — CID 170015914

IUPACN-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1cc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3ccc(-c5cccc6c(-c7cccc(-c8ccccc8N(c8ccc(-c9ccc%10c(c9)oc9ccccc9%10)cc8)c8cccc9c8sc8ccccc89)c7)cccc56)cc34)cc2)c2cccc3oc4ccccc4c23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C104H64N2O3S/c1-2-27-76-66(21-1)22-15-33-77(76)69-23-13-25-71(61-69)80-28-3-8-41-92(80)105(94-43-20-47-99-102(94)90-32-6-11-46-97(90)107-99)74-57-51-67(52-58-74)82-36-18-39-88-91-63-73(54-60-98(91)109-103(82)88)79-35-17-37-83-78(34-16-38-84(79)83)70-24-14-26-72(62-70)81-29-4-9-42-93(81)106(95-44-19-40-89-87-31-7-12-48-101(87)110-104(89)95)75-55-49-65(50-56-75)68-53-59-86-85-30-5-10-45-96(85)108-100(86)64-68/h1-64H
InChIKeyYJTWLQIDFNBVJP-UHFFFAOYSA-N
MW1421.73 g/mol
LogP30.67
Rot. Bonds13

About N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine

N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 170015914) has the molecular formula C104H64N2O3S and a molecular weight of 1421.73 g/mol. Its IUPAC name is N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID170015914
Molecular FormulaC104H64N2O3S
Molecular Weight1421.73 g/mol
Exact Mass1420.46
IUPAC NameN-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1cc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3ccc(-c5cccc6c(-c7cccc(-c8ccccc8N(c8ccc(-c9ccc%10c(c9)oc9ccccc9%10)cc8)c8cccc9c8sc8ccccc89)c7)cccc56)cc34)cc2)c2cccc3oc4ccccc4c23)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C104H64N2O3S/c1-2-27-76-66(21-1)22-15-33-77(76)69-23-13-25-71(61-69)80-28-3-8-41-92(80)105(94-43-20-47-99-102(94)90-32-6-11-46-97(90)107-99)74-57-51-67(52-58-74)82-36-18-39-88-91-63-73(54-60-98(91)109-103(82)88)79-35-17-37-83-78(34-16-38-84(79)83)70-24-14-26-72(62-70)81-29-4-9-42-93(81)106(95-44-19-40-89-87-31-7-12-48-101(87)110-104(89)95)75-55-49-65(50-56-75)68-53-59-86-85-30-5-10-45-96(85)108-100(86)64-68/h1-64H
InChIKeyYJTWLQIDFNBVJP-UHFFFAOYSA-N
XLogP30.67
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001421.73
LogP ≤ 530.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine with MolForge

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Related Compounds

7-dibenzofuran-2-yl-N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718857
N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
CID 174291189
2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170015375
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167324801
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-di(dibenzofuran-3-yl)dibenzofuran-3-amine;N,N-di(dibenzothiophen-3-yl)dibenzothiophen-3-amine;N,N-di(dibenzothiophen-4-yl)dibenzothiophen-4-amine
CID 158783151
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-(4-dibenzofuran-3-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
CID 167326001
N,N-bis(4-dibenzofuran-2-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)phenanthren-4-amine;N,N-bis(4-dibenzothiophen-4-ylphenyl)phenanthren-4-amine
CID 160723829
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 158642581
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzothiophen-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998655

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine (CID 170015914) is N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine is c1cc(-c2ccccc2N(c2ccc(-c3cccc4c3oc3ccc(-c5cccc6c(-c7cccc(-c8ccccc8N(c8ccc(-c9ccc%10c(c9)oc9ccccc9%10)cc8)c8cccc9c8sc8ccccc89)c7)cccc56)cc34)cc2)c2cccc3oc4ccccc4c23)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is YJTWLQIDFNBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H64N2O3S/c1-2-27-76-66(21-1)22-15-33-77(76)69-23-13-25-71(61-69)80-28-3-8-41-92(80)105(94-43-20-47-99-102(94)90-32-6-11-46-97(90)107-99)74-57-51-67(52-58-74)82-36-18-39-88-91-63-73(54-60-98(91)109-103(82)88)79-35-17-37-83-78(34-16-38-84(79)83)70-24-14-26-72(62-70)81-29-4-9-42-93(81)106(95-44-19-40-89-87-31-7-12-48-101(87)110-104(89)95)75-55-49-65(50-56-75)68-53-59-86-85-30-5-10-45-96(85)108-100(86)64-68/h1-64H.
What are the key properties of N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine?
N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 1421.73 g/mol, XLogP of 30.67, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170015914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).