11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine

C76H54N2O3 — CID 168855702

IUPAC11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine
SMILESC1=CC(c2cccc3c2oc2ccccc23)CC=C1N(c1ccc(-c2ccccc2)cc1)c1cc2c3c(c1)OC1=C(C=C(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)CC1)C3=CCC2
InChIInChI=1S/C76H54N2O3/c1-3-14-49(15-4-1)51-28-36-56(37-29-51)77(57-40-32-53(33-41-57)62-21-12-24-67-64-19-7-9-26-70(64)80-75(62)67)60-44-45-72-69(47-60)66-23-11-18-55-46-61(48-73(79-72)74(55)66)78(58-38-30-52(31-39-58)50-16-5-2-6-17-50)59-42-34-54(35-43-59)63-22-13-25-68-65-20-8-10-27-71(65)81-76(63)68/h1-10,12-17,19-34,36-43,46-48,54H,11,18,35,44-45H2
InChIKeyKQYKCAKQBPGVOJ-UHFFFAOYSA-N
MW1043.28 g/mol
LogP20.74
Rot. Bonds10

About 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine

11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine (PubChem CID 168855702) has the molecular formula C76H54N2O3 and a molecular weight of 1043.28 g/mol. Its IUPAC name is 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine.

Molecular Properties

Compound Name11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine
PubChem CID168855702
Molecular FormulaC76H54N2O3
Molecular Weight1043.28 g/mol
Exact Mass1042.41
IUPAC Name11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine
SMILESC1=CC(c2cccc3c2oc2ccccc23)CC=C1N(c1ccc(-c2ccccc2)cc1)c1cc2c3c(c1)OC1=C(C=C(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)CC1)C3=CCC2
InChIInChI=1S/C76H54N2O3/c1-3-14-49(15-4-1)51-28-36-56(37-29-51)77(57-40-32-53(33-41-57)62-21-12-24-67-64-19-7-9-26-70(64)80-75(62)67)60-44-45-72-69(47-60)66-23-11-18-55-46-61(48-73(79-72)74(55)66)78(58-38-30-52(31-39-58)50-16-5-2-6-17-50)59-42-34-54(35-43-59)63-22-13-25-68-65-20-8-10-27-71(65)81-76(63)68/h1-10,12-17,19-34,36-43,46-48,54H,11,18,35,44-45H2
InChIKeyKQYKCAKQBPGVOJ-UHFFFAOYSA-N
XLogP20.74
TPSA41.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.28
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine with MolForge

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Related Compounds

3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(6-phenyldibenzofuran-2-yl)aniline
CID 129311289
3-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-10-N-(4-dibenzofuran-4-ylphenyl)-3-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 168855644
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-(4-tritylphenyl)aniline;4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(7,8-dihydrodibenzothiophen-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 159675474
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158633743
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-(4-dibenzofuran-4-ylphenyl)-17-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433045
N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 130390524
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine;methane;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158314338

Frequently Asked Questions

What is the IUPAC name of 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine?
The IUPAC name of 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine (CID 168855702) is 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine.
What is the SMILES notation for 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine?
The canonical SMILES for 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine is C1=CC(c2cccc3c2oc2ccccc23)CC=C1N(c1ccc(-c2ccccc2)cc1)c1cc2c3c(c1)OC1=C(C=C(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)CC1)C3=CCC2.
What is the InChIKey of 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine?
The InChIKey is KQYKCAKQBPGVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N2O3/c1-3-14-49(15-4-1)51-28-36-56(37-29-51)77(57-40-32-53(33-41-57)62-21-12-24-67-64-19-7-9-26-70(64)80-75(62)67)60-44-45-72-69(47-60)66-23-11-18-55-46-61(48-73(79-72)74(55)66)78(58-38-30-52(31-39-58)50-16-5-2-6-17-50)59-42-34-54(35-43-59)63-22-13-25-68-65-20-8-10-27-71(65)81-76(63)68/h1-10,12-17,19-34,36-43,46-48,54H,11,18,35,44-45H2.
What are the key properties of 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine?
11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine has a molecular weight of 1043.28 g/mol, XLogP of 20.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine is sourced from PubChem (CID 168855702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).