5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

C54H40N2O — CID 130387466

IUPAC5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCc1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)oc2cc(N(c4ccc(C)cc4)c4cccc(-c5ccccc5)c4)c4ccccc4c23)cc1
InChIInChI=1S/C54H40N2O/c1-37-23-27-43(28-24-37)55(45-19-11-17-41(33-45)39-13-5-3-6-14-39)47-31-32-50-52(35-47)57-53-36-51(48-21-9-10-22-49(48)54(50)53)56(44-29-25-38(2)26-30-44)46-20-12-18-42(34-46)40-15-7-4-8-16-40/h3-36H,1-2H3
InChIKeyCYSLCCHNOCUXMV-UHFFFAOYSA-N
MW732.93 g/mol
LogP15.63
Rot. Bonds8

About 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine

5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (PubChem CID 130387466) has the molecular formula C54H40N2O and a molecular weight of 732.93 g/mol. Its IUPAC name is 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
PubChem CID130387466
Molecular FormulaC54H40N2O
Molecular Weight732.93 g/mol
Exact Mass732.31
IUPAC Name5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
SMILESCc1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)oc2cc(N(c4ccc(C)cc4)c4cccc(-c5ccccc5)c4)c4ccccc4c23)cc1
InChIInChI=1S/C54H40N2O/c1-37-23-27-43(28-24-37)55(45-19-11-17-41(33-45)39-13-5-3-6-14-39)47-31-32-50-52(35-47)57-53-36-51(48-21-9-10-22-49(48)54(50)53)56(44-29-25-38(2)26-30-44)46-20-12-18-42(34-46)40-15-7-4-8-16-40/h3-36H,1-2H3
InChIKeyCYSLCCHNOCUXMV-UHFFFAOYSA-N
XLogP15.63
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-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

9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-diphenyl-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-diphenyl-9-N,15-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 159063032
5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 160511447
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483
6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-6,12-diamine
CID 138651057
N,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
CID 176808418
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 164707795
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine (CID 130387466) is 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is Cc1ccc(N(c2cccc(-c3ccccc3)c2)c2ccc3c(c2)oc2cc(N(c4ccc(C)cc4)c4cccc(-c5ccccc5)c4)c4ccccc4c23)cc1.
What is the InChIKey of 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
The InChIKey is CYSLCCHNOCUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O/c1-37-23-27-43(28-24-37)55(45-19-11-17-41(33-45)39-13-5-3-6-14-39)47-31-32-50-52(35-47)57-53-36-51(48-21-9-10-22-49(48)54(50)53)56(44-29-25-38(2)26-30-44)46-20-12-18-42(34-46)40-15-7-4-8-16-40/h3-36H,1-2H3.
What are the key properties of 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine?
5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine has a molecular weight of 732.93 g/mol, XLogP of 15.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 130387466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).