1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine

C53H38N2O — CID 171052298

IUPAC1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc3ccc4ccccc4c3c(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c3)c21
InChIInChI=1S/C53H38N2O/c1-53(2)45-27-13-11-25-42(45)44-33-36-32-31-35-17-9-10-24-41(35)49(36)52(51(44)53)55(38-20-7-4-8-21-38)40-23-15-22-39(34-40)54(37-18-5-3-6-19-37)46-28-16-30-48-50(46)43-26-12-14-29-47(43)56-48/h3-34H,1-2H3
InChIKeyUJAOOZOROYVFBU-UHFFFAOYSA-N
MW718.90 g/mol
LogP15.14
Rot. Bonds6

About 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine

1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 171052298) has the molecular formula C53H38N2O and a molecular weight of 718.90 g/mol. Its IUPAC name is 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID171052298
Molecular FormulaC53H38N2O
Molecular Weight718.90 g/mol
Exact Mass718.30
IUPAC Name1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc3ccc4ccccc4c3c(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c3)c21
InChIInChI=1S/C53H38N2O/c1-53(2)45-27-13-11-25-42(45)44-33-36-32-31-35-17-9-10-24-41(35)49(36)52(51(44)53)55(38-20-7-4-8-21-38)40-23-15-22-39(34-40)54(37-18-5-3-6-19-37)46-28-16-30-48-50(46)43-26-12-14-29-47(43)56-48/h3-34H,1-2H3
InChIKeyUJAOOZOROYVFBU-UHFFFAOYSA-N
XLogP15.14
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324263
N-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-N-phenyldibenzofuran-1-amine
CID 164721623
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-4-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 152916526
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312683
N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine
CID 163943702
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)fluoren-1-amine
CID 168807505
N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine
CID 156573132
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
2-N,6-N-di(dibenzofuran-1-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254527
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine (CID 171052298) is 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine is CC1(C)c2ccccc2-c2cc3ccc4ccccc4c3c(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cccc5oc6ccccc6c45)c3)c21.
What is the InChIKey of 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is UJAOOZOROYVFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2O/c1-53(2)45-27-13-11-25-42(45)44-33-36-32-31-35-17-9-10-24-41(35)49(36)52(51(44)53)55(38-20-7-4-8-21-38)40-23-15-22-39(34-40)54(37-18-5-3-6-19-37)46-28-16-30-48-50(46)43-26-12-14-29-47(43)56-48/h3-34H,1-2H3.
What are the key properties of 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 718.90 g/mol, XLogP of 15.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-1-yl-3-N-(10,10-dimethyl-12-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 171052298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).