12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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

C58H41N3O — CID 153487481

IUPAC12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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
SMILESCc1ccccc1N(c1ccccc1)c1cc2c(c3ccccc13)c1c3ccccc3c(N(c3ccccc3)c3ccccc3C)cc1n2-c1cccc2c1oc1ccccc12
InChIInChI=1S/C58H41N3O/c1-38-20-9-16-32-48(38)59(40-22-5-3-6-23-40)51-36-53-56(45-29-13-11-26-42(45)51)57-46-30-14-12-27-43(46)52(60(41-24-7-4-8-25-41)49-33-17-10-21-39(49)2)37-54(57)61(53)50-34-19-31-47-44-28-15-18-35-55(44)62-58(47)50/h3-37H,1-2H3
InChIKeyUTXZERZLHCUOQO-UHFFFAOYSA-N
MW795.99 g/mol
LogP16.55
Rot. Bonds7

About 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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

12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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 (PubChem CID 153487481) has the molecular formula C58H41N3O and a molecular weight of 795.99 g/mol. Its IUPAC name is 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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.

Molecular Properties

Compound Name12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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
PubChem CID153487481
Molecular FormulaC58H41N3O
Molecular Weight795.99 g/mol
Exact Mass795.32
IUPAC Name12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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
SMILESCc1ccccc1N(c1ccccc1)c1cc2c(c3ccccc13)c1c3ccccc3c(N(c3ccccc3)c3ccccc3C)cc1n2-c1cccc2c1oc1ccccc12
InChIInChI=1S/C58H41N3O/c1-38-20-9-16-32-48(38)59(40-22-5-3-6-23-40)51-36-53-56(45-29-13-11-26-42(45)51)57-46-30-14-12-27-43(46)52(60(41-24-7-4-8-25-41)49-33-17-10-21-39(49)2)37-54(57)61(53)50-34-19-31-47-44-28-15-18-35-55(44)62-58(47)50/h3-37H,1-2H3
InChIKeyUTXZERZLHCUOQO-UHFFFAOYSA-N
XLogP16.55
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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 with MolForge

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Related Compounds

12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[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 153487441
9-N,15-N-bis(2-methylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[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 153487432
9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-(3-phenylphenyl)-12-azapentacyclo[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 153487457
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118086600
4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 159039636
3-N,8-N-di(dibenzofuran-4-yl)-1,6-dimethyl-3-N,8-N-diphenylbenzo[e]pyrene-3,8-diamine
CID 118581628
15-N-[3-[3-(2-methyl-N-[15-(N-(2-methylphenyl)anilino)-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]anilino)phenyl]phenyl]-9-N,15-N-bis(4-methylphenyl)-9-N-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[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 146540103
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-phenyl-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 164724953
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
9-dibenzofuran-4-yl-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501186

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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?
The IUPAC name of 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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 153487481) is 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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.
What is the SMILES notation for 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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?
The canonical SMILES for 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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 is Cc1ccccc1N(c1ccccc1)c1cc2c(c3ccccc13)c1c3ccccc3c(N(c3ccccc3)c3ccccc3C)cc1n2-c1cccc2c1oc1ccccc12.
What is the InChIKey of 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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?
The InChIKey is UTXZERZLHCUOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O/c1-38-20-9-16-32-48(38)59(40-22-5-3-6-23-40)51-36-53-56(45-29-13-11-26-42(45)51)57-46-30-14-12-27-43(46)52(60(41-24-7-4-8-25-41)49-33-17-10-21-39(49)2)37-54(57)61(53)50-34-19-31-47-44-28-15-18-35-55(44)62-58(47)50/h3-37H,1-2H3.
What are the key properties of 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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?
12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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 has a molecular weight of 795.99 g/mol, XLogP of 16.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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 is sourced from PubChem (CID 153487481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).