2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine

C72H56N4O — CID 135189607

IUPAC2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine
SMILESC1=C(c2ccccc2)CCC(N(c2ccccc2)c2ccc(N(C3=Cc4c(oc5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc45)CC3)c3ccccc3)cc2)=C1
InChIInChI=1S/C72H56N4O/c1-7-19-53(20-8-1)54-31-37-63(38-32-54)74(59-25-13-4-14-26-59)65-43-45-66(46-44-65)76(61-29-17-6-18-30-61)68-48-50-72-70(52-68)69-51-67(47-49-71(69)77-72)75(60-27-15-5-16-28-60)64-41-35-56(36-42-64)55-33-39-62(40-34-55)73(57-21-9-2-10-22-57)58-23-11-3-12-24-58/h1-31,33-37,39-47,49,51-52H,32,38,48,50H2
InChIKeyWTHCYUCVJQABQA-UHFFFAOYSA-N
MW993.27 g/mol
LogP20.06
Rot. Bonds14

About 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine

2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine (PubChem CID 135189607) has the molecular formula C72H56N4O and a molecular weight of 993.27 g/mol. Its IUPAC name is 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine
PubChem CID135189607
Molecular FormulaC72H56N4O
Molecular Weight993.27 g/mol
Exact Mass992.45
IUPAC Name2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine
SMILESC1=C(c2ccccc2)CCC(N(c2ccccc2)c2ccc(N(C3=Cc4c(oc5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc45)CC3)c3ccccc3)cc2)=C1
InChIInChI=1S/C72H56N4O/c1-7-19-53(20-8-1)54-31-37-63(38-32-54)74(59-25-13-4-14-26-59)65-43-45-66(46-44-65)76(61-29-17-6-18-30-61)68-48-50-72-70(52-68)69-51-67(47-49-71(69)77-72)75(60-27-15-5-16-28-60)64-41-35-56(36-42-64)55-33-39-62(40-34-55)73(57-21-9-2-10-22-57)58-23-11-3-12-24-58/h1-31,33-37,39-47,49,51-52H,32,38,48,50H2
InChIKeyWTHCYUCVJQABQA-UHFFFAOYSA-N
XLogP20.06
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.27
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine with MolForge

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Related Compounds

N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
N-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-3-yl)cyclohexa-1,3-dien-1-yl]-N,6-diphenylnaphthalen-2-amine
CID 170052329
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 170238372
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861988
N-phenyl-N-(4-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridin-6-amine
CID 166861522
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89151841

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine (CID 135189607) is 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine is C1=C(c2ccccc2)CCC(N(c2ccccc2)c2ccc(N(C3=Cc4c(oc5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc45)CC3)c3ccccc3)cc2)=C1.
What is the InChIKey of 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine?
The InChIKey is WTHCYUCVJQABQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N4O/c1-7-19-53(20-8-1)54-31-37-63(38-32-54)74(59-25-13-4-14-26-59)65-43-45-66(46-44-65)76(61-29-17-6-18-30-61)68-48-50-72-70(52-68)69-51-67(47-49-71(69)77-72)75(60-27-15-5-16-28-60)64-41-35-56(36-42-64)55-33-39-62(40-34-55)73(57-21-9-2-10-22-57)58-23-11-3-12-24-58/h1-31,33-37,39-47,49,51-52H,32,38,48,50H2.
What are the key properties of 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine?
2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine has a molecular weight of 993.27 g/mol, XLogP of 20.06, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-diphenyl-8-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-2-N-[4-(N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-3,4-dihydrodibenzofuran-2,8-diamine is sourced from PubChem (CID 135189607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).