6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine

C66H40N2O2 — CID 155361637

IUPAC6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
SMILESc1ccc(N(c2cc3ccccc3c3ccccc23)c2cc3oc4c(ccc5c4oc4cc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)c6ccccc6c45)c3c3ccccc23)cc1
InChIInChI=1S/C66H40N2O2/c1-3-21-43(22-4-1)67(57-37-41-19-7-9-25-45(41)47-27-11-13-29-49(47)57)59-39-61-63(53-33-17-15-31-51(53)59)55-35-36-56-64-54-34-18-16-32-52(54)60(40-62(64)70-66(56)65(55)69-61)68(44-23-5-2-6-24-44)58-38-42-20-8-10-26-46(42)48-28-12-14-30-50(48)58/h1-40H
InChIKeyVLCGNPWQCZFDQD-UHFFFAOYSA-N
MW893.06 g/mol
LogP19.34
Rot. Bonds6

About 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine

6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine (PubChem CID 155361637) has the molecular formula C66H40N2O2 and a molecular weight of 893.06 g/mol. Its IUPAC name is 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine.

Molecular Properties

Compound Name6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
PubChem CID155361637
Molecular FormulaC66H40N2O2
Molecular Weight893.06 g/mol
Exact Mass892.31
IUPAC Name6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
SMILESc1ccc(N(c2cc3ccccc3c3ccccc23)c2cc3oc4c(ccc5c4oc4cc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)c6ccccc6c45)c3c3ccccc23)cc1
InChIInChI=1S/C66H40N2O2/c1-3-21-43(22-4-1)67(57-37-41-19-7-9-25-45(41)47-27-11-13-29-49(47)57)59-39-61-63(53-33-17-15-31-51(53)59)55-35-36-56-64-54-34-18-16-32-52(54)60(40-62(64)70-66(56)65(55)69-61)68(44-23-5-2-6-24-44)58-38-42-20-8-10-26-46(42)48-28-12-14-30-50(48)58/h1-40H
InChIKeyVLCGNPWQCZFDQD-UHFFFAOYSA-N
XLogP19.34
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.06
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine with MolForge

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Related Compounds

6-N,6-N,25-N,25-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155359449
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155361636
4-N,20-N-di(phenanthren-9-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 90263128
9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359554
6-N,11-N-di(phenanthren-9-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262487
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
CID 167184155
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-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90262894
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-10-yl)-4-phenylanilino]naphthalen-1-yl]naphthalen-1-yl]-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 153468589
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886

Frequently Asked Questions

What is the IUPAC name of 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?
The IUPAC name of 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine (CID 155361637) is 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine.
What is the SMILES notation for 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?
The canonical SMILES for 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine is c1ccc(N(c2cc3ccccc3c3ccccc23)c2cc3oc4c(ccc5c4oc4cc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)c6ccccc6c45)c3c3ccccc23)cc1.
What is the InChIKey of 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?
The InChIKey is VLCGNPWQCZFDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2/c1-3-21-43(22-4-1)67(57-37-41-19-7-9-25-45(41)47-27-11-13-29-49(47)57)59-39-61-63(53-33-17-15-31-51(53)59)55-35-36-56-64-54-34-18-16-32-52(54)60(40-62(64)70-66(56)65(55)69-61)68(44-23-5-2-6-24-44)58-38-42-20-8-10-26-46(42)48-28-12-14-30-50(48)58/h1-40H.
What are the key properties of 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?
6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine has a molecular weight of 893.06 g/mol, XLogP of 19.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,25-N-di(phenanthren-9-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine is sourced from PubChem (CID 155361637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).