10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine

C62H40N2O4 — CID 155362364

IUPAC10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
SMILESc1ccc(Oc2ccc(N(c3ccccc3)c3cc4oc5ccc6oc7cc(N(c8ccccc8)c8ccc(Oc9ccccc9)cc8)c8ccccc8c7c6c5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C62H40N2O4/c1-5-17-41(18-6-1)63(43-29-33-47(34-30-43)65-45-21-9-3-10-22-45)53-39-57-59(51-27-15-13-25-49(51)53)61-55(67-57)37-38-56-62(61)60-52-28-16-14-26-50(52)54(40-58(60)68-56)64(42-19-7-2-8-20-42)44-31-35-48(36-32-44)66-46-23-11-4-12-24-46/h1-40H
InChIKeyUNVFPPCYFCSTBR-UHFFFAOYSA-N
MW877.01 g/mol
LogP18.32
Rot. Bonds10

About 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine

10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine (PubChem CID 155362364) has the molecular formula C62H40N2O4 and a molecular weight of 877.01 g/mol. Its IUPAC name is 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine.

Molecular Properties

Compound Name10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
PubChem CID155362364
Molecular FormulaC62H40N2O4
Molecular Weight877.01 g/mol
Exact Mass876.30
IUPAC Name10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
SMILESc1ccc(Oc2ccc(N(c3ccccc3)c3cc4oc5ccc6oc7cc(N(c8ccccc8)c8ccc(Oc9ccccc9)cc8)c8ccccc8c7c6c5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C62H40N2O4/c1-5-17-41(18-6-1)63(43-29-33-47(34-30-43)65-45-21-9-3-10-22-45)53-39-57-59(51-27-15-13-25-49(51)53)61-55(67-57)37-38-56-62(61)60-52-28-16-14-26-50(52)54(40-58(60)68-56)64(42-19-7-2-8-20-42)44-31-35-48(36-32-44)66-46-23-11-4-12-24-46/h1-40H
InChIKeyUNVFPPCYFCSTBR-UHFFFAOYSA-N
XLogP18.32
TPSA51.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.01
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-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,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-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
11-N,25-N-di(phenanthren-3-yl)-11-N,25-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 148742406
10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155359774
N-[4-(4-chlorophenyl)phenyl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468544
9-N,9-N,15-N,15-N-tetrakis(3-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 90263218
N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(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-decaen-9-amine
CID 153468645
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468588
9-N,15-N-bis(4-methoxyphenyl)-9-N,15-N-bis(4-nitrophenyl)-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 171061770
N-[4-[4-[N-(12-oxapentacyclo[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]naphthalen-1-yl]phenyl]-N-(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-decaen-9-amine
CID 153468639
N-[4-[4-[N-(12-oxapentacyclo[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)-4-phenylanilino]anthracen-1-yl]phenyl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468558
10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
CID 155644974

Frequently Asked Questions

What is the IUPAC name of 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The IUPAC name of 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine (CID 155362364) is 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine.
What is the SMILES notation for 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The canonical SMILES for 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine is c1ccc(Oc2ccc(N(c3ccccc3)c3cc4oc5ccc6oc7cc(N(c8ccccc8)c8ccc(Oc9ccccc9)cc8)c8ccccc8c7c6c5c4c4ccccc34)cc2)cc1.
What is the InChIKey of 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
The InChIKey is UNVFPPCYFCSTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O4/c1-5-17-41(18-6-1)63(43-29-33-47(34-30-43)65-45-21-9-3-10-22-45)53-39-57-59(51-27-15-13-25-49(51)53)61-55(67-57)37-38-56-62(61)60-52-28-16-14-26-50(52)54(40-58(60)68-56)64(42-19-7-2-8-20-42)44-31-35-48(36-32-44)66-46-23-11-4-12-24-46/h1-40H.
What are the key properties of 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?
10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine has a molecular weight of 877.01 g/mol, XLogP of 18.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,21-N-bis(4-phenoxyphenyl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine is sourced from PubChem (CID 155362364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).