7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine

C69H42F2N2O2 — CID 90140286

IUPAC7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
SMILESFc1ccc(N(c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)ccc3c2C4(c2ccccc2)c2ccccc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C69H42F2N2O2/c70-47-27-31-49(32-28-47)72(61-21-11-19-59-55-17-7-9-23-63(55)74-67(59)61)51-35-39-53-43(41-51)25-37-57-58-38-26-44-42-52(36-40-54(44)66(58)69(65(53)57,45-13-3-1-4-14-45)46-15-5-2-6-16-46)73(50-33-29-48(71)30-34-50)62-22-12-20-60-56-18-8-10-24-64(56)75-68(60)62/h1-42H
InChIKeyUJHMELLKDRVPHB-UHFFFAOYSA-N
MW969.10 g/mol
LogP19.37
Rot. Bonds8

About 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine

7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine (PubChem CID 90140286) has the molecular formula C69H42F2N2O2 and a molecular weight of 969.10 g/mol. Its IUPAC name is 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine.

Molecular Properties

Compound Name7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
PubChem CID90140286
Molecular FormulaC69H42F2N2O2
Molecular Weight969.10 g/mol
Exact Mass968.32
IUPAC Name7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine
SMILESFc1ccc(N(c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)ccc3c2C4(c2ccccc2)c2ccccc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C69H42F2N2O2/c70-47-27-31-49(32-28-47)72(61-21-11-19-59-55-17-7-9-23-63(55)74-67(59)61)51-35-39-53-43(41-51)25-37-57-58-38-26-44-42-52(36-40-54(44)66(58)69(65(53)57,45-13-3-1-4-14-45)46-15-5-2-6-16-46)73(50-33-29-48(71)30-34-50)62-22-12-20-60-56-18-8-10-24-64(56)75-68(60)62/h1-42H
InChIKeyUJHMELLKDRVPHB-UHFFFAOYSA-N
XLogP19.37
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.10
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?
The IUPAC name of 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine (CID 90140286) is 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine.
What is the SMILES notation for 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?
The canonical SMILES for 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine is Fc1ccc(N(c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)ccc3c2C4(c2ccccc2)c2ccccc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?
The InChIKey is UJHMELLKDRVPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F2N2O2/c70-47-27-31-49(32-28-47)72(61-21-11-19-59-55-17-7-9-23-63(55)74-67(59)61)51-35-39-53-43(41-51)25-37-57-58-38-26-44-42-52(36-40-54(44)66(58)69(65(53)57,45-13-3-1-4-14-45)46-15-5-2-6-16-46)73(50-33-29-48(71)30-34-50)62-22-12-20-60-56-18-8-10-24-64(56)75-68(60)62/h1-42H.
What are the key properties of 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine?
7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine has a molecular weight of 969.10 g/mol, XLogP of 19.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,17-N-di(dibenzofuran-4-yl)-7-N,17-N-bis(4-fluorophenyl)-12,12-diphenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene-7,17-diamine is sourced from PubChem (CID 90140286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).