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

C51H36N2 — CID 145241548

IUPAC15,30-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
SMILESC=CC.c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3ccccc13)-c1ccccc1-c1c-2n(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C48H30N2.C3H6/c1-3-15-33-29-35(27-25-31(33)13-1)49-43-23-11-9-21-41(43)45-38-18-6-8-20-40(38)48-46(37-17-5-7-19-39(37)47(45)49)42-22-10-12-24-44(42)50(48)36-28-26-32-14-2-4-16-34(32)30-36;1-3-2/h1-30H;3H,1H2,2H3/b45-38-,46-37-,47-39+,48-40+;
InChIKeyZCNUQAQFHZRUCI-NNYAXLKDSA-N
MW676.86 g/mol
LogP14.05
Rot. Bonds2

About 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

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 (PubChem CID 145241548) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15,30-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
PubChem CID145241548
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name15,30-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
SMILESC=CC.c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3ccccc13)-c1ccccc1-c1c-2n(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C48H30N2.C3H6/c1-3-15-33-29-35(27-25-31(33)13-1)49-43-23-11-9-21-41(43)45-38-18-6-8-20-40(38)48-46(37-17-5-7-19-39(37)47(45)49)42-22-10-12-24-44(42)50(48)36-28-26-32-14-2-4-16-34(32)30-36;1-3-2/h1-30H;3H,1H2,2H3/b45-38-,46-37-,47-39+,48-40+;
InChIKeyZCNUQAQFHZRUCI-NNYAXLKDSA-N
XLogP14.05
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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
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
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
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
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
fluoranthene;15-fluoranthen-8-yl-30-methyl-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 145241631
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 177491803
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
CID 134551673
CID 134551673
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC.c1ccc2c(c1)-c1c(n(-c3ccc4ccccc4c3)c3ccccc13)-c1ccccc1-c1c-2n(-c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is ZCNUQAQFHZRUCI-NNYAXLKDSA-N. The full InChI is InChI=1S/C48H30N2.C3H6/c1-3-15-33-29-35(27-25-31(33)13-1)49-43-23-11-9-21-41(43)45-38-18-6-8-20-40(38)48-46(37-17-5-7-19-39(37)47(45)49)42-22-10-12-24-44(42)50(48)36-28-26-32-14-2-4-16-34(32)30-36;1-3-2/h1-30H;3H,1H2,2H3/b45-38-,46-37-,47-39+,48-40+;.
What are the key properties of 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?
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 has a molecular weight of 676.86 g/mol, XLogP of 14.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145241548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).