19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene

C56H34N2 — CID 145241599

IUPAC19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene
SMILESc1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3c1ccc1ccccc13)-c1ccccc1-c1c-2c2ccc3ccccc3c2n1-c1ccc2ccccc2c1
InChIInChI=1S/C56H34N2/c1-3-17-39-33-41(29-25-35(39)13-1)57-53-43-19-7-5-15-37(43)27-31-49(53)51-45-21-9-10-22-46(45)52-50-32-28-38-16-6-8-20-44(38)54(50)58(42-30-26-36-14-2-4-18-40(36)34-42)56(52)48-24-12-11-23-47(48)55(51)57/h1-34H/b51-45-,52-46-,55-47+,56-48+
InChIKeyCFGXWYLGCRYEJM-ORPIRLPSSA-N
MW734.90 g/mol
LogP15.17
Rot. Bonds2

About 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene

19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene (PubChem CID 145241599) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene.

Molecular Properties

Compound Name19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene
PubChem CID145241599
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC Name19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene
SMILESc1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3c1ccc1ccccc13)-c1ccccc1-c1c-2c2ccc3ccccc3c2n1-c1ccc2ccccc2c1
InChIInChI=1S/C56H34N2/c1-3-17-39-33-41(29-25-35(39)13-1)57-53-43-19-7-5-15-37(43)27-31-49(53)51-45-21-9-10-22-46(45)52-50-32-28-38-16-6-8-20-44(38)54(50)58(42-30-26-36-14-2-4-18-40(36)34-42)56(52)48-24-12-11-23-47(48)55(51)57/h1-34H/b51-45-,52-46-,55-47+,56-48+
InChIKeyCFGXWYLGCRYEJM-ORPIRLPSSA-N
XLogP15.17
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene with MolForge

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Related Compounds

15,24-dinaphthalen-2-yl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,25,27,29-tetradecaene
CID 145241644
15,30-dinaphthalen-2-yl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene;prop-1-ene
CID 145241548
22-naphthalen-2-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129306239
12-naphthalen-2-ylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
CID 134555374
11-(6-chloronaphthalen-2-yl)benzo[a]carbazole
CID 167038091
12,27-di(carbazol-9-yl)-15,24-diphenyl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9(14),10,12,17,19,21,25(30),26,28-tetradecaene
CID 145241488
15,30-bis(11,11-dimethylbenzo[b]fluoren-3-yl)-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
CID 145241546
15-naphthalen-2-yl-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 118652925
9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170244542
[7-(12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)triphenylen-2-yl]-bis(2,4,6-trimethylphenyl)borane
CID 145009381
10-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552566
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703

Frequently Asked Questions

What is the IUPAC name of 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene?
The IUPAC name of 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene (CID 145241599) is 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene.
What is the SMILES notation for 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene?
The canonical SMILES for 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene is c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3c1ccc1ccccc13)-c1ccccc1-c1c-2c2ccc3ccccc3c2n1-c1ccc2ccccc2c1.
What is the InChIKey of 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene?
The InChIKey is CFGXWYLGCRYEJM-ORPIRLPSSA-N. The full InChI is InChI=1S/C56H34N2/c1-3-17-39-33-41(29-25-35(39)13-1)57-53-43-19-7-5-15-37(43)27-31-49(53)51-45-21-9-10-22-46(45)52-50-32-28-38-16-6-8-20-44(38)54(50)58(42-30-26-36-14-2-4-18-40(36)34-42)56(52)48-24-12-11-23-47(48)55(51)57/h1-34H/b51-45-,52-46-,55-47+,56-48+.
What are the key properties of 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene?
19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene has a molecular weight of 734.90 g/mol, XLogP of 15.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19,28-dinaphthalen-2-yl-19,28-diazanonacyclo[25.11.0.02,7.08,20.09,18.012,17.021,26.029,38.030,35]octatriaconta-1(27),2,4,6,8(20),9(18),10,12,14,16,21,23,25,29(38),30,32,34,36-octadecaene is sourced from PubChem (CID 145241599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).