5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine

C66H47N3O2 — CID 129311786

IUPAC5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESC1=CCC(Nc2ccccc2-c2ccc(-c3cccc(-c4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c4)c3)cc2)C=C1
InChIInChI=1S/C66H47N3O2/c1-4-21-50(22-5-1)67-60-32-13-10-27-55(60)46-39-37-45(38-40-46)47-19-16-20-48(41-47)49-42-53(68(51-23-6-2-7-24-51)61-33-17-30-58-56-28-11-14-35-63(56)70-65(58)61)44-54(43-49)69(52-25-8-3-9-26-52)62-34-18-31-59-57-29-12-15-36-64(57)71-66(59)62/h1-21,23-44,50,67H,22H2
InChIKeyGBRHXDWZFJCFBV-UHFFFAOYSA-N
MW914.12 g/mol
LogP18.72
Rot. Bonds11

About 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine

5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 129311786) has the molecular formula C66H47N3O2 and a molecular weight of 914.12 g/mol. Its IUPAC name is 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID129311786
Molecular FormulaC66H47N3O2
Molecular Weight914.12 g/mol
Exact Mass913.37
IUPAC Name5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESC1=CCC(Nc2ccccc2-c2ccc(-c3cccc(-c4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c4)c3)cc2)C=C1
InChIInChI=1S/C66H47N3O2/c1-4-21-50(22-5-1)67-60-32-13-10-27-55(60)46-39-37-45(38-40-46)47-19-16-20-48(41-47)49-42-53(68(51-23-6-2-7-24-51)61-33-17-30-58-56-28-11-14-35-63(56)70-65(58)61)44-54(43-49)69(52-25-8-3-9-26-52)62-34-18-31-59-57-29-12-15-36-64(57)71-66(59)62/h1-21,23-44,50,67H,22H2
InChIKeyGBRHXDWZFJCFBV-UHFFFAOYSA-N
XLogP18.72
TPSA44.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.12
LogP ≤ 518.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine with MolForge

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Related Compounds

N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502890
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(3,5-diphenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 160902009
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine (CID 129311786) is 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine is C1=CCC(Nc2ccccc2-c2ccc(-c3cccc(-c4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c4)c3)cc2)C=C1.
What is the InChIKey of 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is GBRHXDWZFJCFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3O2/c1-4-21-50(22-5-1)67-60-32-13-10-27-55(60)46-39-37-45(38-40-46)47-19-16-20-48(41-47)49-42-53(68(51-23-6-2-7-24-51)61-33-17-30-58-56-28-11-14-35-63(56)70-65(58)61)44-54(43-49)69(52-25-8-3-9-26-52)62-34-18-31-59-57-29-12-15-36-64(57)71-66(59)62/h1-21,23-44,50,67H,22H2.
What are the key properties of 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine?
5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 914.12 g/mol, XLogP of 18.72, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 129311786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).