6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

C56H34N2O2 — CID 166032207

IUPAC6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc3cc2-4)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C56H34N2O2/c1-3-11-39(12-4-1)57(43-23-25-55-51(33-43)45-15-7-9-17-53(45)59-55)41-21-19-35-29-47-48-30-36-20-22-42(28-38(36)32-50(48)49(47)31-37(35)27-41)58(40-13-5-2-6-14-40)44-24-26-56-52(34-44)46-16-8-10-18-54(46)60-56/h1-34H
InChIKeyPWAOBYMNKSOAPW-UHFFFAOYSA-N
MW766.90 g/mol
LogP16.38
Rot. Bonds6

About 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (PubChem CID 166032207) has the molecular formula C56H34N2O2 and a molecular weight of 766.90 g/mol. Its IUPAC name is 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.

Molecular Properties

Compound Name6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
PubChem CID166032207
Molecular FormulaC56H34N2O2
Molecular Weight766.90 g/mol
Exact Mass766.26
IUPAC Name6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc3cc2-4)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C56H34N2O2/c1-3-11-39(12-4-1)57(43-23-25-55-51(33-43)45-15-7-9-17-53(45)59-55)41-21-19-35-29-47-48-30-36-20-22-42(28-38(36)32-50(48)49(47)31-37(35)27-41)58(40-13-5-2-6-14-40)44-24-26-56-52(34-44)46-16-8-10-18-54(46)60-56/h1-34H
InChIKeyPWAOBYMNKSOAPW-UHFFFAOYSA-N
XLogP16.38
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(13,20-diphenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl)-N-phenyldibenzofuran-2-amine
CID 166033125
N-(4-dibenzofuran-2-ylphenyl)-16-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033497
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N-phenyldibenzofuran-2-amine
CID 156554384
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
5-bromo-3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552089
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
6-(3-bromo-5-dibenzofuran-2-ylphenyl)-N,N-diphenylnaphthalen-2-amine
CID 121443813
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736

Frequently Asked Questions

What is the IUPAC name of 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The IUPAC name of 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (CID 166032207) is 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.
What is the SMILES notation for 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The canonical SMILES for 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is c1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc3cc2-4)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The InChIKey is PWAOBYMNKSOAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O2/c1-3-11-39(12-4-1)57(43-23-25-55-51(33-43)45-15-7-9-17-53(45)59-55)41-21-19-35-29-47-48-30-36-20-22-42(28-38(36)32-50(48)49(47)31-37(35)27-41)58(40-13-5-2-6-14-40)44-24-26-56-52(34-44)46-16-8-10-18-54(46)60-56/h1-34H.
What are the key properties of 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine has a molecular weight of 766.90 g/mol, XLogP of 16.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is sourced from PubChem (CID 166032207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).